Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OQDXASJSCOTNQS-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C1=CC=CC3=CC4=CC=CC=C4C2=C13;C1=CC=C2C(=C1)C1=C3C2=C2C=CC=CC2=CC3=CC=C1
InChI
InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H12
Molecular Weight 252.09
AlogP 5.64
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 203-33-8
NORMAN SUSDAT