Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60871218

Structure

InChI Key UWTZBVTWSKWXMN-UHFFFAOYSA-N
Smiles O=CC=CC=CC=1C=CC=CC1
InChI
InChI=1/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10O
Molecular Weight 158.07
AlogP 2.45
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13466-40-5
NORMAN SUSDAT
PubChem 114651