Molecule ID: 70680331

IUPAC Name: 4-(2-azaniumylethyl)-2-nitrophenolate

Description: The molecule is a zwitterion obtained by transfer of a proton from the phenol to the amino group of 3-nitrotyramine; major species at pH 7.3 It is a tautomer of a 3-nitrotyramine.

SMILES: NCCc1ccc(O)c([N+](=O)[O-])c1

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

InChI: InChI=1S/C8H10N2O3/c9-4-3-6-1-2-8(11)7(5-6)10(12)13/h1-2,5,11H,3-4,9H2

Molecular Properties:
- Polar Surface Area: 96.5 Ų
- LogP: 1.4