Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3L1YW1X4QB
EPA CompTox DTXSID3067285

Structure

InChI Key AZLNHMGSTZDDIY-UHFFFAOYSA-N
Smiles CCCCCCCCCc1cccc2c1cccc2
InChI
InChI=1S/C19H26/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18/h9-11,13-16H,2-8,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26
Molecular Weight 254.2
AlogP 6.13
Number of Rotational Bond 8.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 27193-93-7
NORMAN SUSDAT
FDA SRS 3L1YW1X4QB
PubChem 117797
ChemSpider 183722.0