Common name
sulfoxime
Formula
C23H22ClNO2S
CAS
660411-21-2
IUPAC name
1-(4-chlorophenyl)-2-(methylthio)-1-propanone O-[(3-phenoxyphenyl)methyl]oxime
SMILES
CC(C(=NOCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)Cl)SC
INCHI
InChI=1S/C23H22ClNO2S/c1-17(28-2)23(19-11-13-20(24)14-12-19)25-26-16-18-7-6-10-22(15-18)27-21-8-4-3-5-9-21/h3-15,17H,16H2,1-2H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
Num. double bonds:
Num. triple bonds:
Num. heavy atoms:
Num. nitrogen atom:
Num. oxygen atoms:
Num. sulphur atoms :
Num. P atoms:
Num. halogen atoms:
Num. H-bond acc:
Num. H-bond donors:
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:
Frac. of Rot. bonds:
Photostability
Num. arom. bonds:
Num. arom. atoms:
Num. arom. rings:
Num. rings:
Topological
topoRadius:
topoDiameter:
TopoPSA:
Radar annotation
Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
RDL:
QEI:
Gau:
