Inchikey
WebAn InChI (International Chemical Identifier) key is a unique identifier for a chemical compound, and it can be used to look up information on the compound in other …
Inchikey
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WebMay 7, 2015 · IUPAC Standard InChIKey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N Copy; CAS Registry Number: 192-65-4; 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. WebInChIKey generator - www.InChI.info InChIKey generator This online service lets you generate an InChIKey from InChI. It uses our reimplementation of the InChI->InChIKey …
WebJan 24, 2024 · InChIKey Identifier: QIVBCDIJIAJPQS-FKOBDKTLDJ CAS Number: 73-22-3 MDL Number: MFCD00064340 Melting point: 280-285 °C Solubility in water: 11,4 g/L (20 °C); pKa - 2,83; pKb - 9,39 IR and H1 NMR spectrum: n/a MSDS (Material Safety Data Sheet): n/a 2D Molfile: Get the molfile 3D PDB file: Get the PDB file http://inchi.info/inchi_comparison_en.html
WebN-Methyl-1H-pyrazole-1-ethanamine trihydrochloride, CAS号949100-10-1, 分子量为234.55, 分子式C6H14Cl3N3, 标准纯度95%, 毕得医药(Bidepharm)提供949100-10-1批次质检（如NMR, HPLC, GC）等检测报告。 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 …
WebJan 9, 2024 · This tutorial will use the InChI (International Chemical Identifier), InChI Key, molecular formula, Canonical SMILES (Simplified Molecular-Input Line-Entry System) and molecular weight with InChI being used in the demonstration section. 2 Learning Objectives Import Python Library Create and Define Functions Make API Request with Python
WebInChI and InChIKey identifiers are displayed for caffeine and 1-[(E)-2-fluorovinyl]-3-nitrobenzene. Source publication. Chemoinformatics-based enumeration of chemical libraries: a tutorial. how to remove wood stain from fabricWebis.inchikey: Check if input is a valid inchikey; is.inchikey_cs: Check if input is a valid inchikey using ChemSpider API; is.inchikey_format: Check if input is a valid inchikey using format; is.smiles: Check if input is a SMILES string; jagst: Organic plant protection products in the river Jagst /... lc50: Acute toxicity data from U.S. EPA ECOTOX norovirus lysol testingWebIUPAC Standard InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N Copy CAS Registry Number: 75-05-8 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. Other names: Cyanomethane; Ethanenitrile; Ethyl nitrile; Methane, cyano-; Methanecarbonitrile; Methyl … how to remove wood stain from concreteWebInChIKey - InChIKey is a condensed version of the InChI string of a chemical substance, developed under the auspices of IUPAC (International Union of Pure and Applied … norovirus long islandWebUniChem provides the option to input either InChI or InChIKey identifiers instead of src_compound_ids. Just paste in your query string, select the appropriate search criteria and click to submit the search. Continuing on with the previous example of yohimbine, you can try a UniChem search using the identifiers below (Figure 5): norovirus long term care cdcThe condensed, 27 character InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm), designed to allow for easy web searches of chemical compounds. The standard InChIKey is the hashed counterpart of standard InChI. Most chemical structures on the Web up to 2007 have been represented as GIF files, which are not searchable for chemical content. The full InChI turne… norovirus long term careWebMay 7, 2024 · To address this issue, the InChIKey was introduced for Internet and database searching/indexing. It is a 27-character string derived from InChI, using a hashing algorithm. Hashing is a one-way mathematical transformation typically used to calculate a compact fixed length digital representation of a much longer string of arbitrary length. norovirus length of symptoms