Common name
dinobuton
Formula
C14H18N2O7
CAS
973-21-7
IUPAC name
1-methylethyl 2-(1-methylpropyl)-4,6-dinitrophenyl carbonate
SMILES
CCC(C)c1cc(cc(c1OC(=O)OC(C)C)N(=O)=O)N(=O)=O
INCHI
InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
Physicochemical Properties
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Lipophilicity
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Water Solubility
CLogS:
Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 8
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
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