Molecule ID: 73707586

IUPAC Name: (3-propyl-1H-indol-5-yl)methanesulfonic acid

Description: The molecule is a member of the class of indoles that is 1H-indole which is substituted by a propyl group at position 3 and by a sulfomethyl group at position 5. It is a member of indoles and an organosulfonic acid.

SMILES: CCCc1c[nH]c2ccc(CS(=O)(=O)O)cc12

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

InChI: InChI=1S/C12H15NO3S/c1-2-3-10-7-13-12-5-4-9(6-11(10)12)8-17(14,15)16/h4-7,13H,2-3,8H2,1H3,(H,14,15,16)

Molecular Properties:
- Polar Surface Area: 78.5 Ų
- LogP: 1.8