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Common name


metoxadiazone

Formula


C10H10N2O4

CAS


60589-06-2

IUPAC name


5-methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2(3H)-one

SMILES


COc1ccccc1n1c(=O)oc(n1)OC

INCHI


InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3

Physicochemical Properties

Molecular weight:

222.197

Molar refractivity:

58.966

Num. bonds:

17

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

49.06

Lipophilicity

ALogP:

1.062

MLogP:

1.9

XLogP:

1.59

Water Solubility

CLogS:

-2.123

Geometric

PPSA-1:

368.128

PNSA-1:

191.352

RPCS:

4.294

RNCS:

4.166

THSA:

392.391

TPSA:

167.089

RHSA:

0.701

RPSA:

0.299

Electrostatic

RPCG:

0.246

RNCG:

0.229

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.176

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

62.05
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.444

QEI:

0.68

Gau:

5.635