Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30993991

Structure

InChI Key IMXRFUZDYLVLKI-UHFFFAOYSA-N
Smiles O=C(O)C(O)(O)C(Cl)(Cl)Cl
InChI
InChI=1/C3H3Cl3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3Cl3O4
Molecular Weight 207.91
AlogP 0.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 77.76
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 73257-73-5
NORMAN SUSDAT
PubChem 2723815