ENDOSULFAN SULFATE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key AAPVQEMYVNZIOO-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6Cl6O4S
Molecular Weight 422.92
AlogP 2.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 60.98
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 60 to 151 days post germination None 4.5
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 16 to 59 days post germination None 1.3
Root bioconcentration factor assessed as compound concentration in tomato plant dry mass to compound concentration in soil dry mass after 1 to 15 days post germination None 9.2
Drug uptake in Solanum lycopersicum (tomato) fruit peel after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 80.6 ng/g
Drug uptake in Solanum lycopersicum (tomato) fruit flesh after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 305.5 ng/g
Octanol-water partition coefficient, log KOW of the compound None 4.0
Drug uptake in Solanum lycopersicum (tomato) root after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 71.4 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 82.1 ng/g
Drug uptake in Solanum lycopersicum (tomato) root after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 21.1 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 60 to 151 days post germination by GC-ECD analysis Solanum lycopersicum 38.2 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 99.7 ng/g
Drug uptake in Solanum lycopersicum (tomato) root after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 151.6 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 16 to 59 days post germination by GC-ECD analysis Solanum lycopersicum 48.2 ng/g
Drug uptake in Solanum lycopersicum (tomato) stem after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 246.9 ng/g
Drug uptake in Solanum lycopersicum (tomato) leaves after 1 to 15 days post germination by GC-ECD analysis Solanum lycopersicum 126.5 ng/g

Cross References

Resources Reference
ChEMBL CHEMBL2272380
PubChem 13940
SureChEMBL SCHEMBL630451
CONTENTS