Inchikey search

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August undefined, 2024

Web2.1.3 InChIKey LPCBVVPXHSOPAQ-SFHVURJKSA-N Computed by InChI 1.0.6 (PubChem release 2024.10.14) PubChem 2.1.4 Canonical SMILES CC (C) (C)CCC (C (=O)O)NC (C1=CC=CC=C1)C2=CC=CC=C2 Computed by OEChem 2.3.0 (PubChem release 2024.10.14) PubChem 2.1.5 Isomeric SMILES CC (C) (C)CC [C@@H] (C (=O)O)NC … WebApr 5, 2024 · InChIKey: The InChIKey search performs an exact match search based on the InChiKey thereby matching charge, isotopes and stereochemistry explicitly. For a more …

InChIKey.Info Molecular Database with searchable InChI codes

WebFeb 1, 2024 · The InChI and InChIKey have become essential tools for scientists worldwide, providing a new Common Language for Chemistry. The power of these tools allows … WebThe International Chemical Identifier (InChI / ˈ ɪ n tʃ iː / IN-chee or / ˈ ɪ ŋ k iː / ING-kee) is a textual identifier for chemical substances, designed to provide a standard way to encode … imaging infrared iir

IUPAC Identifier Search - NIST

WebChemical Component Search Tools Use the forms below to search for chemical components within the PDB Component Dictionary. Search for chemical components by 3 … WebJul 5, 2015 · According to Wikipedia, the InChikey is generated by a hashing algorithm, like the SHA-2. The InChi key is designed for use in search, and thus is not necessarily … WebThe InChIKey subdomain of PubChemRDF. The InChIKey subdomain of PubChemRDF. An official website of the United States government ... Search PubChem. Submit search … imaging infrared guidance

2.3: Chemical Representations on Computer: Part III

WebInChI Keys are generated using algorithms that take into account the structure of the chemical compound, including its atoms, bonds, and other structural features. The InChI … WebSearch of spectra by chemical name, peak, InChIKey or SPLASH. Search Contents Download. More Documentation About MassBank News Archive. Search. Search for: … list of friends listWebThis form allows searching on IUPAC International Chemical Identifiers (InChI) and standard InChI hashes (InChIKey). Please follow the steps below to conduct your search (Help) : … imaging infrared light

"WebInChIKey is a fixed-length format directly derived from InChI. It is based on a strong hash (SHA-256 algorithm) of an InChI string. Because of the hash nature of the InChIKey, there … " - Inchikey search

Inchikey search

WebThe Offender Tracking Information System (OTIS) contains information about prisoners, parolees, and probationers who are currently under supervision, or who have been … WebChemical structure search with InChIKey. You can search small molecules using the InChIKey, a standard hashed representation of the IUPAC International Chemical Identifier …

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WebMar 18, 2008 · Antimicrobial pesticides are substances or mixtures of substances used to destroy or suppress the growth of harmful microorganisms whether bacteria, viruses, or fungi on inanimate objects and surfaces. Biochemical. Biopesticides are certain types of pesticides derived from such natural materials as animals, plants, bacteria, and certain … WebDec 15, 2024 · A list of software developers, database providers, and journal publishers incorporating InChI in their products is available here. The InChI TM program version 1.06 …

WebApr 13, 2024 · Open access Spectral Database. Open access, fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and Mass Spectra. Search a compound by … WebFeb 4, 2013 · Molecular weight: 267.965 IUPAC Standard InChI: InChI=1S/C7H10Cl4O2/c1-5 (8)3-2-4-13-6 (12)7 (9,10)11/h5H,2-4H2,1H3 IUPAC Standard InChIKey: SBORQTKUILWURI-UHFFFAOYSA-N Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript .

WebAug 11, 2024 · The hash function generates a standard key of 27 characters that stores information in four parts (see figure 5). The InChIKey may be a standard or nonstandard … http://www.massbank.jp/Search

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WebMay 7, 2015 · 1,2:4,5-Dibenzopyrene Formula:C24H14 Molecular weight:302.3680 IUPAC Standard InChI:InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14HCopy IUPAC Standard InChIKey:KGHMWBNEMFNJFZ-UHFFFAOYSA-NCopy CAS Registry Number:192-65-4 Chemical structure: imaging in healthcareWebThis site provides information on how to access Third Judicial Circuit of Michigan public court case records through Odyssey Public Access (OPA). Documents filed by parties are … imaging informationWebFormula: C 7 H 10 Cl 4 O 2 Molecular weight: 267.965 IUPAC Standard InChI: InChI=1S/C7H10Cl4O2/c1-2-3-5 (8)4-13-6 (12)7 (9,10)11/h5H,2-4H2,1H3 IUPAC Standard InChIKey: KLZWAXURZZRALT-UHFFFAOYSA-N Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file imaging in milford deWebJun 10, 2024 · You can search for substances by IUPAC, full and partial trade name, InChIKey, CAS Registry Number, molecular formula, molecular weight and journal title. … list of frontline stocks in indiahttp://inchi.info/inchikey_overview_en.html list of frozen charactersWebMar 15, 2009 · Search within. Search term. Advanced Search Citation Search. Search term. Advanced Search Citation Search. Login / Register. 3-Hydroxy-2-[[(2,4,6 … list of frogs speciesWebSome experimental analysis provide only structure data encoded as InChIKey (see What are InChI and InChIKey?). The Rhea search allows you to retrieve reactions based on such … imaging infrared thermometer