Molecule ID: 54691342

IUPAC Name: 3-amino-4,7-dihydroxy-8-methylchromen-2-one

Description: The molecule is a hydroxycoumarin that is 4,7-dihydroxycoumarin bearing additional amino and methyl substituents at positions 3 and 8 respectively. It has a role as a metabolite.

SMILES: Cc1c(O)ccc2c(O)c(N)c(=O)oc12

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

InChI: InChI=1S/C10H9NO4/c1-4-6(12)3-2-5-8(13)7(11)10(14)15-9(4)5/h2-3,12-13H,11H2,1H3

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: 0.8