Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U46E473275
EPA CompTox DTXSID3060087

Structure

InChI Key XCDXSSFOJZZGQC-UHFFFAOYSA-N
Smiles ClCCN(CCCl)c1cc2c(cccc2)cc1
InChI
InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15Cl2N1
Molecular Weight 267.06
AlogP 4.12
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 494-03-1
NORMAN SUSDAT
FDA SRS U46E473275
PubChem 10307
ChemSpider 9885.0