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Common name


pyresmethrin

Formula


C23H26O5

CAS


24624-58-6

IUPAC name


[5-(phenylmethyl)-3-furanyl]methyl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate

SMILES


C/C(=C\[C@@H]1[C@@H](C(=O)OCc2cc(Cc3ccccc3)oc2)C1(C)C)/C(=O)OC

INCHI


InChI=1S/C23H26O5/c1-15(21(24)26-4)10-19-20(23(19,2)3)22(25)28-14-17-12-18(27-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/b15-10+/t19-,20+/m1/s1

Physicochemical Properties

Molecular weight:

382.45

Molar refractivity:

64.993

Num. bonds:

30

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

0

Num. oxygen atoms:

5

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

144.05

Lipophilicity

ALogP:

1.652

MLogP:

3.44

XLogP:

5.979

Water Solubility

CLogS:

-5.189

Geometric

PPSA-1:

618.145

PNSA-1:

207.567

RPCS:

3.22

RNCS:

3.364

THSA:

693.622

TPSA:

132.09

RHSA:

0.84

RPSA:

0.16

Electrostatic

RPCG:

0.149

RNCG:

0.188

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.3

Photostability

Num. arom. bonds:

11

Num. arom. atoms:

11

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

17

TopoPSA:

65.74
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.223

QEI:

0.686

Gau:

5.104