Common name
fenitropan
Formula
C13H15NO6
CAS
65934-95-4
IUPAC name
(1R,2R)-rel-2-nitro-1-phenyl-1,3-propanediyl diacetate
SMILES
CC(=O)OC[C@H]([C@@H](c1ccccc1)OC(=O)C)N(=O)=O.CC(=O)OC[C@@H]([C@H](c1ccccc1)OC(=O)C)N(=O)=O
INCHI
InChI=1S/2C13H15NO6/c2*1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h2*3-7,12-13H,8H2,1-2H3/t2*12-,13-/m10/s1
Physicochemical Properties
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Complexity of system:
Lipophilicity
ALogP:
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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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