Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GZX30H50DE
EPA CompTox DTXSID6075352

Structure

InChI Key PJKVFARRVXDXAD-UHFFFAOYSA-N
Smiles O=CC=1C=CC=2C=CC=CC2C1
InChI
InChI=1/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8O
Molecular Weight 156.06
AlogP 2.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 66-99-9
NORMAN SUSDAT
FDA SRS GZX30H50DE
PubChem 6201