Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60865031

Structure

InChI Key UMKFEPPTGMDVMI-UHFFFAOYSA-N
Smiles ClCCN(CCCl)P1(=O)OCCCN1CCCl
InChI
InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18Cl3N2O2P1
Molecular Weight 322.02
AlogP 2.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 32.78
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 22089-22-1
NORMAN SUSDAT
PubChem 65702
ChemSpider 59129.0