Molecule Category Free-form
UNII 243Z2SVZ40
EPA CompTox DTXSID9032371
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
CAS NUMBER 2227-17-0
ChEMBL CHEMBL1355965
FDA SRS 243Z2SVZ40
PubChem 16686
SureChEMBL SCHEMBL117767