Common name
epoxiconazole
Formula
C17H13ClFN3O
CAS
133855-98-8 (formerly 106325-08-0)
IUPAC name
rel-1-[[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1H-1,2,4-triazole
SMILES
c1ccc(c(c1)[C@@H]1[C@@](Cn2cncn2)(c2ccc(cc2)F)O1)Cl.c1ccc(c(c1)[C@H]1[C@](Cn2cncn2)(c2ccc(cc2)F)O1)Cl
INCHI
InChI=1S/2C17H13ClFN3O/c2*18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h2*1-8,10-11,16H,9H2/t2*16-,17-/m10/s1
Physicochemical Properties
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 4
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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