Molecule ID: 131801260

IUPAC Name: [3-[2-(methylazaniumyl)ethyl]-1H-indol-4-yl] phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate and protonation of the amino group of baeocystin; major species at pH 7.3. It is a conjugate base of a baeocystin.

SMILES: CNCCc1c[nH]c2cccc(OP(=O)([O-])O)c12

SELFIES: [C][N][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O][=C][Ring1][=C][Ring1][O]

InChI: InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -2.2