Common name
metconazole
Formula
C17H22ClN3O
CAS
125116-23-6
IUPAC name
5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
SMILES
CC1(C)CCC(Cc2ccc(cc2)Cl)C1(Cn1cncn1)O
INCHI
InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
Physicochemical Properties
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Lipophilicity
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 4
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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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