Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 71PUW8TX5Q
EPA CompTox DTXSID10867565

Structure

InChI Key BISFKEVJRXXYRM-UHFFFAOYSA-N
Smiles CC1CC(=O)c2c(C)cc3c(c12)C(C)(C)CC3(C)C
InChI
InChI=1S/C18H24O/c1-10-7-12-16(18(5,6)9-17(12,3)4)15-11(2)8-13(19)14(10)15/h7,11H,8-9H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24O1
Molecular Weight 256.18
AlogP 4.64
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 68298-33-9
NORMAN SUSDAT
FDA SRS 71PUW8TX5Q
PubChem 109275
ChemSpider 98252.0