Common name
binapacryl
Formula
C15H18N2O6
CAS
485-31-4
IUPAC name
2-(1-methylpropyl)-4,6-dinitrophenyl 3-methyl-2-butenoate
SMILES
CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)N(=O)=O)N(=O)=O
INCHI
InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
Physicochemical Properties
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Lipophilicity
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Water Solubility
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 7
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AgroPAD
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Topological
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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