Common name
hexylthiofos
Formula
C10H21O3PS
CAS
41495-67-4
IUPAC name
O-cyclohexyl O,S-diethyl phosphorothioate
SMILES
CCOP(=O)(OC1CCCCC1)SCC
INCHI
InChI=1S/C10H21O3PS/c1-3-12-14(11,15-4-2)13-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
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Num. nitrogen atom:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
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RNCS:
THSA:
TPSA:
RHSA:
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:
QEF:
Gau:
