Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 73H8VD533I
EPA CompTox DTXSID3027536

Structure

InChI Key VUQPJRPDRDVQMN-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCCl
InChI
InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37Cl1
Molecular Weight 288.26
AlogP 7.49
Number of Rotational Bond 16.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 3386-33-2
NORMAN SUSDAT
FDA SRS 73H8VD533I
PubChem 18815
ChemSpider 17766.0