Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O8267G3UF3
EPA CompTox DTXSID5062926

Structure

InChI Key WEJVHFVGNQBRGH-UHFFFAOYSA-N
Smiles Cc1cc(C)c(O)c(C)c1C
InChI
InChI=1S/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 3238-38-8
NORMAN SUSDAT
FDA SRS O8267G3UF3
PubChem 76719
ChemSpider 69177.0