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Common name


sulfluramid

Formula


C10H6F17NO2S

CAS


4151-50-2

IUPAC name


N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide

SMILES


CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

INCHI


InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3

Physicochemical Properties

Molecular weight:

527.198

Molar refractivity:

60.852

Num. bonds:

6

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

31

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

17

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

6.07

Lipophilicity

ALogP:

4.459

MLogP:

0.69

XLogP:

Water Solubility

CLogS:

-5.576

Geometric

PPSA-1:

64.221

PNSA-1:

345.947

RPCS:

64.221

RNCS:

9.38

THSA:

345.947

TPSA:

88.693

RHSA:

0.843

RPSA:

0.157

Electrostatic

RPCG:

1

RNCG:

0.167

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

54.55
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.393

QEI:

0.338

Gau:

4.607