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Common name


japothrins

Formula


C18H24O3

CAS


10597-73-6

IUPAC name


[5-(2-propen-1-yl)-2-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


C=CCc1ccc(COC(=O)C2C(C=C(C)C)C2(C)C)o1

INCHI


InChI=1S/C18H24O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h6,8-10,15-16H,1,7,11H2,2-5H3

Physicochemical Properties

Molecular weight:

288.381

Molar refractivity:

88.057

Num. bonds:

22

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

64.03

Lipophilicity

ALogP:

2.773

MLogP:

3.11

XLogP:

4.142

Water Solubility

CLogS:

-4.244

Geometric

PPSA-1:

490.807

PNSA-1:

190.55

RPCS:

0.296

RNCS:

3.487

THSA:

629.621

TPSA:

51.736

RHSA:

0.924

RPSA:

0.076

Electrostatic

RPCG:

0.174

RNCG:

0.207

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.318

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

39.44
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.062

QEI:

0.888

Gau:

6.948