Common name
fosetyl
Formula
C2H7O3P
CAS
15845-66-6
IUPAC name
ethyl hydrogen phosphonate
SMILES
CCOP(=O)O
INCHI
InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
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Num. nitrogen atom:
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Num. sulphur atoms :
Num. P atoms:
Num. halogen atoms:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
RPCS:
RNCS:
THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 2
Frac. of Rot. bonds:
AgroPAD
Photostability
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Num. rings:
Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
QEF:
Gau:
