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

Structure

InChI Key IRAQOCYXUMOFCW-ABHRYQDASA-N
Smiles CC1=CC[C@]23C[C@@H]1C(C)(C)[C@@H]3CC[C@@H]2C
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.42
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 35944-22-0
NORMAN SUSDAT