Common name
inezin
Formula
C15H17O2PS
CAS
21722-85-0
IUPAC name
O-ethyl S-(phenylmethyl) P-phenylphosphonothioate
SMILES
CCOP(=O)(c1ccccc1)SCc1ccccc1
INCHI
InChI=1S/C15H17O2PS/c1-2-17-18(16,15-11-7-4-8-12-15)19-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
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Complexity of system:
Lipophilicity
ALogP:
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Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
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RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 6
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
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Gau:
