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Common name


flucythrinate

Formula


C26H23F2NO4

CAS


70124-77-5

IUPAC name


cyano(3-phenoxyphenyl)methyl (?S)-4-(difluoromethoxy)-?-(1-methylethyl)benzeneacetate

SMILES


CC(C)[C@@H](c1ccc(cc1)OC(F)F)C(=O)OC(C#N)c1cccc(c1)Oc1ccccc1

INCHI


InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3/t23?,24-/m0/s1

Physicochemical Properties

Molecular weight:

451.462

Molar refractivity:

131.054

Num. bonds:

35

Num. double bonds:

10

Num. triple bonds:

1

Num. heavy atoms:

33

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

169.07

Lipophilicity

ALogP:

3.309

MLogP:

3.55

XLogP:

3.717

Water Solubility

CLogS:

-6.121

Geometric

PPSA-1:

421.636

PNSA-1:

392.264

RPCS:

0.307

RNCS:

3.013

THSA:

682.159

TPSA:

131.741

RHSA:

0.838

RPSA:

0.162

Electrostatic

RPCG:

0.138

RNCG:

0.122

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.286

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

68.55
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.911

QEI:

0.373

Gau:

4.786