4,6-dicyano-1H-indole-2-carboxylic acid

HCID 89995320
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Basic information

Standard SMILES
N#Cc1cc(C#N)c2cc(C(=O)O)[nH]c2c1
InChIKey
POLSKQQIQWLYSN-UHFFFAOYSA-N
Molecular formula
C11H5N3O2
Average molar mass
211.18 g/mol

Names & identifiers

Preferred name
4,6-dicyano-1H-indole-2-carboxylic acid
IUPAC
4,6-dicyano-1H-indole-2-carboxylic acid

Names & synonyms

SCHEMBL15506636POLSKQQIQWLYSN-UHFFFAOYSA-N4,6-dicyano-1H-indole-2-carboxylic acid

Database identifiers

PubChem CID
89995320

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Related reactions

1 records
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Compound notes

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