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

Structure

InChI Key CBDVPYMMYSUKJS-UHFFFAOYSA-N
Smiles CC1C(C)(C)C2=C(CC(O)CC2)C1(C)C
InChI
InChI=1S/C14H24O/c1-9-13(2,3)11-7-6-10(15)8-12(11)14(9,4)5/h9-10,15H,6-8H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O1
Molecular Weight 208.18
AlogP 3.53
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
NORMAN SUSDAT