Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 24IR5X2B93
EPA CompTox DTXSID70168762

Structure

InChI Key SLKPBCXNFNIJSV-HNNXBMFYSA-N
Smiles Cc1ccc(cc1)[C@]1(C)CCCC1(C)C
InChI
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22
Molecular Weight 202.17
AlogP 4.46
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 16982-00-6
NORMAN SUSDAT
FDA SRS 24IR5X2B93
PubChem 86895
ChemSpider 78392.0