Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P4J99M5X4M
EPA CompTox DTXSID10208651

Structure

InChI Key NWEPJDPAVFDLBY-UHFFFAOYSA-N
Smiles OP(=O)(O)C(Cl)(Cl)Cl
InChI
InChI=1S/CH2Cl3O3P/c2-1(3,4)8(5,6)7/h(H2,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H2Cl3O3P1
Molecular Weight 197.88
AlogP 1.49
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 57.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5994-41-2
NORMAN SUSDAT
FDA SRS P4J99M5X4M
PubChem 80089
ChemSpider 72339.0