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Common name


copper oleate

Formula


C36H66CuO4

CAS


1120-44-1

IUPAC name


(9Z)-9-octadecenoic acid copper(2+) salt (2:1)

SMILES


CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2]

INCHI


InChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;

Physicochemical Properties

Molecular weight:

281.453

Molar refractivity:

66.639

Num. bonds:

19

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

0

Num. oxygen atoms:

2

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:

19.02

Lipophilicity

ALogP:

-2.226

MLogP:

3.22

XLogP:

7.711

Water Solubility

CLogS:

-6.021

Geometric

PPSA-1:

557.139

PNSA-1:

125.468

RPCS:

1.532

RNCS:

8.122

THSA:

635.801

TPSA:

46.806

RHSA:

0.931

RPSA:

0.069

Electrostatic

RPCG:

0.226

RNCG:

0.203

Flexibility

Num. Rot. bonds:

15

Frac. of Rot. bonds:

0.789

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

17.07
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.692

QEI:

0.319

Gau:

4.695