Molecule ID: 131801259

IUPAC Name: [3-(2-azaniumylethyl)-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 norbaeocystin; major species at pH 7.3. It is a conjugate base of a norbaeocystin.

SMILES: NCCc1c[nH]c2cccc(OP(=O)([O-])O)c12

SELFIES: [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/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: -2.7