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

Structure

InChI Key NHWVMXZZAZDCIV-UHFFFAOYSA-N
Smiles CC1=CCC2C(C1)CC(C)(C)CC=C2C
InChI
InChI=1S/C15H24/c1-11-5-6-14-12(2)7-8-15(3,4)10-13(14)9-11/h5,7,13-14H,6,8-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24
Molecular Weight 204.19
AlogP 4.73
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 24703-35-3
NORMAN SUSDAT