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

Structure

InChI Key IRQRKGIRFAUXIH-UHFFFAOYSA-N
Smiles CC1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3
InChI
InChI=1S/C17H12/c1-11-8-9-13-14-6-2-4-12-5-3-7-15(17(12)14)16(13)10-11/h2-10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12
Molecular Weight 216.09
AlogP 4.8
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 20485-57-8
NORMAN SUSDAT