Basic information
- Standard SMILES
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(CO)cc3)cc12- InChIKey
NOGWJYQSYBAMTO-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO3
- Average molar mass
- 301.72 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
- IUPAC
- 6-chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
Names & synonyms
CHEMBL3919304SCHEMBL15301204NOGWJYQSYBAMTO-UHFFFAOYSA-NBDBM237921US9394285, 26-Chloro-5-[4-(hydroxymethyl)phenyl]-1H-indole-3-carboxylic acid
Database identifiers
- PubChem CID
- 86698571
- ChEMBL
CHEMBL3919304
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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