Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H8HF8RS8FZ
EPA CompTox DTXSID10933496

Structure

InChI Key BNISRVGIGGHBIM-UHFFFAOYSA-N
Smiles O=C1CC2CC1C3CC=CC23
InChI
InChI=1/C10H12O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-9H,3-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O
Molecular Weight 148.09
AlogP 1.79
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14888-58-5
NORMAN SUSDAT
FDA SRS H8HF8RS8FZ
PubChem 85784