Common name
ditalimfos
Formula
C12H14NO4PS
CAS
5131-24-8
IUPAC name
O,O-diethyl P-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phosphonothioate
SMILES
CCOP(=S)(N1C(=O)c2ccccc2C1=O)OCC
INCHI
InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
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Num. P 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: 5
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:
