Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K7AU5F5LZ4
EPA CompTox DTXSID30180081

Structure

InChI Key UEKWTIYPDJLSKK-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCNc1ccccc1
InChI
InChI=1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h17-19,21-22,25H,2-16,20,23H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H43N1
Molecular Weight 345.34
AlogP 8.36
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 12.03
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 25417-58-7
NORMAN SUSDAT
FDA SRS K7AU5F5LZ4
PubChem 96164
ChemSpider 86806.0