Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HZD8LI91N1
EPA CompTox DTXSID70862435

Structure

InChI Key KXYAVSFOJVUIHT-UHFFFAOYSA-N
Smiles C=CC=1C=CC=2C=CC=CC2C1
InChI
InChI=1/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10
Molecular Weight 154.08
AlogP 3.48
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 827-54-3
NORMAN SUSDAT
FDA SRS HZD8LI91N1
PubChem 13230