Common name
hexachlorobutadiene
Formula
C4Cl6
CAS
87-68-3
IUPAC name
1,1,2,3,4,4-hexachloro-1,3-butadiene
SMILES
C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl
INCHI
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
Physicochemical Properties
Molecular weight:
Molar refractivity:
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Complexity of system:
Lipophilicity
ALogP:
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Water Solubility
CLogS:
Geometric
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RHSA:
RPSA:
Electrostatic
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RNCG:
Flexibility
Num. Rot. bonds: 1
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
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Gau:
