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Common name


pyrifluquinazon

Formula


C19H15F7N4O2

CAS


337458-27-2

IUPAC name


1-acetyl-3,4-dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone

SMILES


CC(=O)N1c2ccc(cc2CN(C1=O)NCc1cccnc1)C(C(F)(F)F)(C(F)(F)F)F

INCHI


InChI=1S/C19H15F7N4O2/c1-11(31)30-15-5-4-14(17(20,18(21,22)23)19(24,25)26)7-13(15)10-29(16(30)32)28-9-12-3-2-6-27-8-12/h2-8,28H,9-10H2,1H3

Physicochemical Properties

Molecular weight:

464.337

Molar refractivity:

93.277

Num. bonds:

34

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

32

Num. nitrogen atom:

4

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

6

Num. H-bond donors:

2

Complexity of system:

164.13

Lipophilicity

ALogP:

0.771

MLogP:

2.12

XLogP:

2.48

Water Solubility

CLogS:

-5.349

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.176

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

46.17
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.677

QEI:

0.302

Gau:

4.471