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Common name


hydramethylnon

Formula


C25H24F6N4

CAS


67485-29-4

IUPAC name


tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone [3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propen-1-ylidene]hydrazone

SMILES


CC1(C)CN=C(NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F

INCHI


InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)

Physicochemical Properties

Molecular weight:

494.475

Molar refractivity:

131.053

Num. bonds:

37

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

35

Num. nitrogen atom:

4

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

6

Num. H-bond acc:

4

Num. H-bond donors:

2

Complexity of system:

179.1

Lipophilicity

ALogP:

5.081

MLogP:

3.11

XLogP:

6.447

Water Solubility

CLogS:

-7.586

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.216

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

48.78
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.807

QEI:

0.304

Gau:

3.458