Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 24R8721A3S
EPA CompTox DTXSID9073125

Structure

InChI Key SNQQPOLDUKLAAF-UHFFFAOYSA-N
Smiles CCCCCCCCCc1ccccc1O
InChI
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 4.69
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 136-83-4
NORMAN SUSDAT
FDA SRS 24R8721A3S
PubChem 67296
ChemSpider 60628.0