Basic information
- Standard SMILES
Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1- InChIKey
PVQJPLGNXHOGRH-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO2
- Average molar mass
- 299.7 g/mol
Names & identifiers
- Preferred name
- 5-chloro-1-(3-methylbenzyl)-1H-indole-2-carboxylic acid
- IUPAC
- 5-chloro-1-[(3-methylphenyl)methyl]indole-2-carboxylic acid
Names & synonyms
SCHEMBL3191922PVQJPLGNXHOGRH-UHFFFAOYSA-N5-chloro-1-(3-methylbenzyl)-1H-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 68544179
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
4 records
Compound notes
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