Basic information
- Standard SMILES
C[C@H](n1ccc2c(Cl)c(C#N)ccc21)C(C)(C)O- InChIKey
GIBXFMCQBQGCKE-VIFPVBQESA-N- Molecular formula
- C14H15ClN2O
- Average molar mass
- 262.73 g/mol
Names & identifiers
- Preferred name
- (S)-4-chloro-1-(3-hydroxy-3-methylbutan-2-yl)-1H-indole-5-carbonitrile
- IUPAC
- 4-chloro-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]indole-5-carbonitrile
Names & synonyms
CHEMBL5998220SCHEMBL15421768GIBXFMCQBQGCKE-VIFPVBQESA-NBDBM332406US10196353, Example 32(S)-4-chloro-1-(3-hydroxy-3-methylbutan-2-yl)-1H-indole-5-carbonitrile
Database identifiers
- PubChem CID
- 86709178
- ChEMBL
CHEMBL5998220
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
1 records
Compound notes
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