Inchikey
WebThe converter is an experimental research tool. Please, before using it and complaining about it, read this information about the features and limitations of the converter.. New: the converter is now able to provide names for common submitted structures. To read more about this feature, see this article.. New:InChI input is now converted into the new … WebJul 4, 2015 · The InChIKey is a character signature based on a hash code of the InChI string. A hash code is a fixed length condensed digital representation of a variable length …
Inchikey
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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 databases. The molecular weight of a molecule is the mass of one molecule of the compound, and it is typically expressed in units of grams per mole (g/mol). http://inchi.info/keygenerator_en.html
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 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.
WebIUPAC 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 … 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 …
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 …
WebStill, InChIKey inherits from InChI, to a limited degree, a layered representation of chemical structure. InChIKey provides a nearly unique short representation of the parent InChI and hence of the parent chemical compound (the chances of InChIKey non-uniqueness are not zero but rather small, see Section 13 ‘InChIKey’ of this FAQ). phimosis and paraphimosis picturesWebinchikey = hegrrszuiaochy-uhfffaoysa-n (carbonyl 1,1-dipole equivalent: synthesis of heterocycles, e.g. hydroindolones, hydantoin, ring expansion, alkylate enols, formation of … phimosis balloonWebApr 15, 2001 · inchikey = wfdijrymoxrffg-uhfffaoysa-n (useful for the acetylation of alcohols, 2 amines, 3 and thiols, 4 oxidation of alcohols, 5 dehydration, 6 Pummerer 7 reaction, … phimosis and diabetes type 2WebInChIKey is a hashed version of InChI which allows for a compact representation and for searching in standard search engines like Google. Where are InChI and the InChIKey … phimosis and diabetesWebFigure 2 Shown above, option 1 for INCHIKEY has been selected Figure 3 Shown above is the InChI Key Result from the PubChem API. Suggested Questions for Classroom Use: Type answers in the boxes that follow each question 1. What is a library in python, and why would python use libraries? 2. What library was used in the above code, and what does ... phimosis betamethasone cream how to applyhttp://inchi.info/converter_en.html tsma scheduleWebA few programs support SMILES. Molfile is a format supported by most chemical packages. CML is supported by several chemical programs, but is far less common than Molfile. For every molecule only one InChIKey is valid, however two molecules may have the same InChIKey – more details here. InChIKey is fixed length (27 characters). tsmas-unitech