Molecule ID: 122164835

IUPAC Name: [4-(2-azaniumylethyl)-2-hydroxyphenyl] sulfate

Description: The molecule is a zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 4-O-sulfate; major species at pH 7.3. It has a role as a human blood serum metabolite and a human urinary metabolite. It is a tautomer of a dopamine 4-O-sulfate.

SMILES: NCCc1ccc(OS(=O)(=O)O)c(O)c1

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

InChI: InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -3.9