Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DM33MW89QU
EPA CompTox DTXSID1032648

Structure

InChI Key UBCKGWBNUIFUST-YHYXMXQVSA-N
Smiles COP(=O)(OC)OC(=C/Cl)C1=C(Cl)C=C(Cl)C(Cl)=C1
InChI
InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9Cl4O4P
Molecular Weight 363.9
AlogP 5.6
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 44.76
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 22248-79-9
NORMAN SUSDAT
FDA SRS DM33MW89QU
PubChem 5284462
ChemSpider 4447527.0