chempirical

Indole-2,5-dicarboxylic acid

C10H7NO4CAS 117140-77-9205.17 g/mol

Open in Covalent MOL file
OOHNHOOH
Carboxylic acid

Properties

Molecular formula
C10H7NO4
Molar mass
205.17 g/mol
Exact mass
205.0375 Da
logP
1.56Crippen estimate
Polar surface area
90.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2

Identifiers

CAS number
117140-77-9
SMILES
C1=CC2=C(C=C1C(=O)O)C=C(N2)C(=O)O
InChIKey
MUABQYJAPOQWCH-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)

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Names and synonyms

1 names
  • 1H-Indole-2,5-dicarboxylic Acid

Work with Indole-2,5-dicarboxylic acid

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

5-Hydroxyindole-2-carboxylic acid21598-06-169 % similar 5-Methylindole-2-carboxylic acid10241-97-167 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-267 % similar 5-Fluoroindole-2-carboxylic acid399-76-867 % similar Indole-2-carboxylic acid1477-50-565 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-162 % similar 1H-Indole-5-carboxylic acid1670-81-158 % similar 6-Bromo-1H-indole-2-carboxylic acid16732-65-354 % similar

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

Same formula

N-Phthaloylglycine4702-13-0 Xanthurenic acid59-00-7

Elsewhere

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