Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2VT926P95A

Structure

InChI Key LZAJKCZTKKKZNT-UHFFFAOYSA-N
Smiles CC1=CC2OC3CCC(C)(C33CO3)C2(C)CC1
InChI
InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22O2
Molecular Weight 234.16
AlogP 3.07
Hydrogen Bond Acceptor 2.0
Polar Surface Area 21.76
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 37133-74-7
NORMAN SUSDAT
FDA SRS 2VT926P95A