Common name
iprobenfos
Formula
C13H21O3PS
CAS
26087-47-8
IUPAC name
O,O-bis(1-methylethyl) S-(phenylmethyl) phosphorothioate
SMILES
CC(C)OP(=O)(OC(C)C)SCc1ccccc1
INCHI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
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Num. nitrogen atom:
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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: 7
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:
QEF:
Gau:
