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Common name


dinotefuran

Formula


C7H14N4O3

CAS


165252-70-0

IUPAC name


N-methyl-N'-nitro-N''-[(tetrahydro-3-furanyl)methyl]guanidine

SMILES


CN=C(NCC1CCOC1)NN(=O)=O

INCHI


InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)

Physicochemical Properties

Molecular weight:

202.211

Molar refractivity:

41.976

Num. bonds:

14

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

4

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

2

Complexity of system:

14.07

Lipophilicity

ALogP:

-0.757

MLogP:

1.46

XLogP:

1.008

Water Solubility

CLogS:

-1.353

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.357

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

88.79
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.571

QEI:

0.412

Gau:

5.256