Common name
captan
Formula
C9H8Cl3NO2S
CAS
133-06-2
IUPAC name
3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
SMILES
C1=CCC2C(C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
INCHI
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
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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RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 2
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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Gau:
