Basic information
- Standard SMILES
CCCCn1ccc2ccc(C(=O)O)cc21- InChIKey
DQXNHXYJAGOSDJ-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
Names & identifiers
- Preferred name
- 1-butyl-1H-indole-6-carboxylic acid
- IUPAC
- 1-butylindole-6-carboxylic acid
Names & synonyms
SCHEMBL3351795DQXNHXYJAGOSDJ-UHFFFAOYSA-N1-butyl-1H-indole-6-carboxylic acidAKOS013059949DS-021607388072-45-5
Database identifiers
- PubChem CID
- 21085167
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
6 records
Compound notes
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