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Common name


pyridalyl

Formula


C18H14Cl4F3NO3

CAS


179101-81-6

IUPAC name


2-[3-[2,6-dichloro-4-[(3,3-dichloro-2-propen-1-yl)oxy]phenoxy]propoxy]-5-(trifluoromethyl)pyridine

SMILES


C(COc1ccc(cn1)C(F)(F)F)COc1c(cc(cc1Cl)OCC=C(Cl)Cl)Cl

INCHI


InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2

Physicochemical Properties

Molecular weight:

491.116

Molar refractivity:

110.325

Num. bonds:

30

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

88.11

Lipophilicity

ALogP:

3.658

MLogP:

2.23

XLogP:

5.984

Water Solubility

CLogS:

-7.898

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

10

topoDiameter:

19

TopoPSA:

27.69
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.994

QEI:

0.313

Gau:

4.901