You are looking to Coumarin
General Information
Pubchem ID: 323
IUPAC Name: Chromen-2-one
Synonym/s: 1,2-Benzopyrone, 5,6-benzo-alpha-pyrone
Molecular Formula: C9H6O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 146.1400
Number of Atoms: 17
Rotatable Bonds: 0
Molecular Refractivity (m³ • mol-1 ): 39.720
Physico-chemical Properties
Volume (cm³ • mol-1 ): 514.91
Solvent Accessible Surface Area (Ų): 332.47
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: -0.97
AlogP: 2.01
Polar Surface Area (Å): 40.57
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Arene
Heteroarene
Benzene