Structure

InChI Key FNYZFZRGBBCWBI-UHFFFAOYSA-L
Smile [Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
InChI
InChI=1S/C12H6Cl4O2S.2Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;;/h1-4,17-18H;;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H4Cl4Na2O2S
Molecular Weight 400.02
AlogP 5.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1447476
EPA CompTox DTXSID8021270
FDA SRS 66V0139H9A
PubChem 22882
SureChEMBL SCHEMBL636173