Molecule Category Free-form
UNII 243Z2SVZ40
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 LWLJUMBEZJHXHV-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl
InChI
InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18

Physicochemical Descriptors

Property Name Value
Molecular Formula C10Cl10
Molecular Weight 474.64
AlogP 5.74
Number of Rotational Bond 1.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL1355965
FDA SRS 243Z2SVZ40
PubChem 16686
SureChEMBL SCHEMBL117767