Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D3E9LGC5N8
EPA CompTox DTXSID7060174

Structure

InChI Key KLAQSPUVCDBEGF-UHFFFAOYSA-N
Smiles Cc1cc(C)c(C)c(O)c1C
InChI
InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)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 527-35-5
NORMAN SUSDAT
FDA SRS D3E9LGC5N8
PubChem 10694
ChemSpider 10244.0