Molecule ID: 164719

IUPAC Name: 3-amino-1-(2-amino-5-hydroxyphenyl)propan-1-one

Description: The molecule is a hydroxykynurenamine where the hydroxy group is located at the 5-position. It has a role as a mouse metabolite. It is a conjugate base of a 5-hydroxykynurenaminium(1+).

SMILES: NCCC(=O)c1cc(O)ccc1N

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

InChI: InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2

Molecular Properties:
- Polar Surface Area: 89.3 Ų
- LogP: 0.1