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Common name


medimeform

Formula


C11H17ClN2

CAS


69618-84-4

IUPAC name


N'-(2,4-dimethylphenyl)-N,N-dimethylmethanimidamide monohydrochloride

SMILES


Cc1ccc(c(C)c1)N=CN(C)C.Cl

INCHI


InChI=1S/C11H16N2.ClH/c1-9-5-6-11(10(2)7-9)12-8-13(3)4;/h5-8H,1-4H3;1H

Physicochemical Properties

Molecular weight:

176.258

Molar refractivity:

60.292

Num. bonds:

13

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

2

Num. oxygen atoms:

0

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:

13.02

Lipophilicity

ALogP:

1.509

MLogP:

2.45

XLogP:

1.86

Water Solubility

CLogS:

-2.919

Geometric

PPSA-1:

413.479

PNSA-1:

184.192

RPCS:

1.313

RNCS:

0.577

THSA:

591.133

TPSA:

6.538

RHSA:

0.989

RPSA:

0.011

Electrostatic

RPCG:

0.117

RNCG:

0.327

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.154

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

15.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.749

QEI:

0.667

Gau:

4.503