Common name
polyoxorim-zinc
Formula
C17H23N5O14
CAS
146659-78-1
IUPAC name
zinc 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-
SMILES
c1c(c(nc(=O)n1[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C(=O)O)N=C([C@@H]([C@H]([C@@H](COC(=N)O)O)O)N)[O-])O1)O)O)[O-])C(=O)O.[Zn+2]
INCHI
InChI=1S/C17H23N5O14.Zn/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34;/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34);/q;+2/p-2/t4-,5-,6+,7+,8+,9-,10-,13-;/m1./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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RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 12
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:
