Molecule ID: 146026570

IUPAC Name: 3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid

Description: The molecule is an indolyl alcohol that is tryptophol which is substituted by a sulfo group at position 2. It has a role as a plant metabolite. It is an indolyl alcohol and an organosulfonic acid. It derives from a tryptophol.

SMILES: O=S(=O)(O)c1[nH]c2ccccc2c1CCO

SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][O]

InChI: InChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15)

Molecular Properties:
- Polar Surface Area: 98.8 Ų
- LogP: 0.7