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Common name


dayoutong

Formula


C16H9Cl4N3O2

CAS


107360-34-9

IUPAC name


4-chloro-5-[(6-chloro-3-pyridinyl)methoxy]-2-(3,4-dichlorophenyl)-3(2H)-pyridazinone

SMILES


c1cc(Cl)ncc1COc1cnn(c2ccc(c(c2)Cl)Cl)c(=O)c1Cl

INCHI


InChI=1S/C16H9Cl4N3O2/c17-11-3-2-10(5-12(11)18)23-16(24)15(20)13(7-22-23)25-8-9-1-4-14(19)21-6-9/h1-7H,8H2

Physicochemical Properties

Molecular weight:

417.074

Molar refractivity:

106.352

Num. bonds:

27

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

25

Num. nitrogen atom:

3

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

5

Num. H-bond donors:

1

Complexity of system:

129.09

Lipophilicity

ALogP:

1.35

MLogP:

2.23

XLogP:

3.033

Water Solubility

CLogS:

-6.853

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.148

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

54.79
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.771

QEI:

0.435

Gau:

4.654