Molecule ID: 130034774

IUPAC Name: 6,7-dihydroxy-3-isocyanochromen-2-one

Description: The molecule is a hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7. It has a role as a bacterial metabolite and an iron chelator. It is an isocyanide and a hydroxycoumarin.

SMILES: [C-]#[N+]c1cc2cc(O)c(O)cc2oc1=O

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

InChI: InChI=1S/C10H5NO4/c1-11-6-2-5-3-7(12)8(13)4-9(5)15-10(6)14/h2-4,12-13H

Molecular Properties:
- Polar Surface Area: 71.1 Ų
- LogP: 1.1