Common name
diclobutrazol
Formula
C15H19Cl2N3O
CAS
75736-33-3
IUPAC name
(2RS,3RS)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
SMILES
CC(C)(C)[C@H]([C@@H](Cc1ccc(cc1Cl)Cl)n1cncn1)O.CC(C)(C)[C@@H]([C@H](Cc1ccc(cc1Cl)Cl)n1cncn1)O
INCHI
InChI=1S/2C15H19Cl2N3O/c2*1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h2*4-5,7-9,13-14,21H,6H2,1-3H3/t2*13-,14+/m10/s1
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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THSA:
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RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 5
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
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Gau:
