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Common name


imidaclothiz

Formula


C7H8ClN5O2S

CAS


105843-36-5

IUPAC name


1-[(2-chloro-5-thiazolyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine

SMILES


C1CN(Cc2cnc(Cl)s2)C(=N1)NN(=O)=O

INCHI


InChI=1S/C7H8ClN5O2S/c8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15/h3H,1-2,4H2,(H,9,11)

Physicochemical Properties

Molecular weight:

261.689

Molar refractivity:

58.089

Num. bonds:

17

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

5

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

49.09

Lipophilicity

ALogP:

0.575

MLogP:

1.24

XLogP:

1.287

Water Solubility

CLogS:

-2.278

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.235

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

111.9
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.284

QEI:

0.682

Gau:

5.24