Molecule ID: 122234931

IUPAC Name: 4-hydroxy-1H-indole-3-carbonyl cyanide

Description: The molecule is a member of the class of hydroxyindoles that is 1H-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position. It has a role as an Arabidopsis thaliana metabolite. It is an alpha-ketonitrile and a member of hydroxyindoles.

SMILES: N#CC(=O)c1c[nH]c2cccc(O)c12

SELFIES: [N][#C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch2][Ring1][#Branch1]

InChI: InChI=1S/C10H6N2O2/c11-4-9(14)6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H

Molecular Properties:
- Polar Surface Area: 76.9 Ų
- LogP: 1.3