Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30949099

Structure

InChI Key VAQAOFHJZRLVEI-UHFFFAOYSA-N
Smiles ClC=1N=C(Cl)NP(Cl)(Cl)N1
InChI
InChI=1/C2H2Cl4N3P/c3-1-7-2(4)9-10(5,6)8-1/h10H,(H,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl4N3P
Molecular Weight 238.87
AlogP 2.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 36.75
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 26236-17-9
NORMAN SUSDAT