Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6052089

Structure

InChI Key VKPRTBDRPNWOGL-UHFFFAOYSA-N
Smiles CC1OC12CC3CC2C4CC(=CCC34)C
InChI
InChI=1S/C14H20O/c1-8-3-4-11-10-6-13(12(11)5-8)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20O1
Molecular Weight 204.15
AlogP 3.16
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 41816-03-9
NORMAN SUSDAT
PubChem 94522
ChemSpider 85298.0