F9Y
- Molecular formula
- C9 H6 N2
- Molecular weight (g/mol)
- 142.16
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 1H-indole-6-carbonitrile
- SMILES
- c1cc(cc2c1cc[nH]2)C#N
- Isomeric SMILES
- c1cc(cc2c1cc[nH]2)C#N
- InChI
- InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
- InChIKey
- SZSZDBFJCQKTRG-UHFFFAOYSA-N
- CAS
- 15861-36-6
Chemical & physical properties
- HBA
- 1
- HBD
- 1
- TPSA (Ų)
- 39.58
- cLogP
- 2.04
- Chiral atoms
- 0
- Molar refractivity
- 43.01
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.0
- Formal charge
- 0
Calculated properties
QED0.6
NPScore-0.486038841
SAScore6.531847001