Psoralen

C11H6O3 — CID 6199

About Psoralen

Psoralen (PubChem CID 6199) has the molecular formula C11H6O3 and a molecular weight of 186.16 g/mol. Its IUPAC name is furo[3,2-g]chromen-7-one.

Molecular Properties

• Compound Name: Psoralen
• PubChem CID: 6199
• Molecular Formula: C11H6O3
• Molecular Weight: 186.16 g/mol
• Exact Mass: 186.03
• IUPAC Name: furo[3,2-g]chromen-7-one
• SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
• InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 39.40 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 3
• Rotatable Bonds: 0
• Heavy Atoms: 14
• Complexity: 284

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.16
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}