Molecule ID: 54691343

IUPAC Name: 3-amino-4,7-dihydroxychromen-2-one

Description: The molecule is a hydroxycoumarin that is 4,7-dihydroxycoumarin bearing an additional amino substituent at positions 3. It has a role as a metabolite. It is a conjugate acid of a 3-amino-4,7-dihydroxycoumarin(1-).

SMILES: Nc1c(O)c2ccc(O)cc2oc1=O

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

InChI: InChI=1S/C9H7NO4/c10-7-8(12)5-2-1-4(11)3-6(5)14-9(7)13/h1-3,11-12H,10H2

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: 0.4