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

Structure

InChI Key DMUDPMBKQJNINF-UHFFFAOYSA-N
Smiles O=P(OC(Cl)C)(OC(Cl)C)OC(Cl)C
InChI
InChI=1/C6H12Cl3O4P/c1-4(7)11-14(10,12-5(2)8)13-6(3)9/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl3O4P
Molecular Weight 283.95
AlogP 3.9
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 44.76
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 29716-44-7
NORMAN SUSDAT
PubChem 3015482