Kartogenin

C₂₀H₁₅NO₃CAS 4727-31-5317.34 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₂₀H₁₅NO₃
Molar mass: 317.34 g/mol
Exact mass: 317.1052 Da
logP: 4.30Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life97.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

4727-31-5

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChIKey

SLUINPGXGFUMLL-UHFFFAOYSA-N

InChI

InChI=1S/C20H15NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22)(H,23,24)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Kgn

Work with Kartogenin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(2-Methylbenzoylamino)-2-methylbenzoic acid317374-08-657 % similar Phthalic acid88-99-353 % similar 1-Biphenyl-2-carboxylic acid947-84-251 % similar Phthalylsulfathiazole85-73-450 % similar (1,1'-Biphenyl)-4-carboxylic acid92-92-250 % similar Ammonium phthalate523-24-049 % similar Osalmid526-18-148 % similar Fenamic acid91-40-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-[(Biphenyl-2-ylcarbonyl)amino]benzoic acid168626-74-2

Elsewhere

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