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Common name


bendiocarb

Formula


C11H13NO4

CAS


22781-23-3

IUPAC name


2,2-dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate

SMILES


CC1(C)Oc2cccc(c2O1)OC(=O)NC

INCHI


InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)

Physicochemical Properties

Molecular weight:

223.225

Molar refractivity:

60.765

Num. bonds:

17

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

49.05

Lipophilicity

ALogP:

-0.104

MLogP:

2.12

XLogP:

1.85

Water Solubility

CLogS:

-2.113

Geometric

PPSA-1:

392.035

PNSA-1:

178.284

RPCS:

0.809

RNCS:

3.761

THSA:

487.828

TPSA:

82.492

RHSA:

0.855

RPSA:

0.145

Electrostatic

RPCG:

0.228

RNCG:

0.207

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.176

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

44.76
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.434

QEI:

0.515

Gau:

4.798