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Common name


furathiocarb

Formula


C18H26N2O5S

CAS


65907-30-4

IUPAC name


2,3-dihydro-2,2-dimethyl-7-benzofuranyl 2,4-dimethyl-5-oxo-6-oxa-3-thia-2,4-diazadecanoate

SMILES


CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C

INCHI


InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)

Physicochemical Properties

Molecular weight:

382.474

Molar refractivity:

50.147

Num. bonds:

13

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

13.07

Lipophilicity

ALogP:

0.255

MLogP:

1.46

XLogP:

0.463

Water Solubility

CLogS:

-3.473

Geometric

PPSA-1:

314.952

PNSA-1:

177.648

RPCS:

2.275

RNCS:

5.837

THSA:

367.146

TPSA:

125.454

RHSA:

0.745

RPSA:

0.255

Electrostatic

RPCG:

0.274

RNCG:

0.185

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.385

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

2

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

81.18
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.79

QEI:

0.687

Gau:

5.574