Basic information
- Standard SMILES
CCCCn1ccc2c(C#N)cc(C(=O)O)cc21- InChIKey
QMPZONOABKUGHO-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
Names & identifiers
- Preferred name
- 1-butyl-4-cyano-1H-indole-6-carboxylic acid
- IUPAC
- 1-butyl-4-cyanoindole-6-carboxylic acid
Names & synonyms
SCHEMBL3350056QMPZONOABKUGHO-UHFFFAOYSA-N1-butyl-4-cyano-1H-indole-6-carboxylic acid
Database identifiers
- PubChem CID
- 21085170
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
6 records
Compound notes
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