Structure

InChI Key YYQRGCZGSFRBAM-UHFFFAOYSA-N
Smile O=P(O)(O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl3O4P
Molecular Weight 229.38
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
ChEBI 9695
ChEMBL CHEMBL1201317
DrugBank DB06753
DrugCentral 2735
EPA CompTox DTXSID9023700
FDA SRS J712EO9048
KEGG C07165
PubChem 5563
SureChEMBL SCHEMBL125854
ZINC ZINC000003831574