Responsive image

Common name


famphur

Formula


C10H16NO5PS2

CAS


52-85-7

IUPAC name


O-[4-[(dimethylamino)sulfonyl]phenyl] O,O-dimethyl phosphorothioate

SMILES


CN(C)S(=O)(=O)c1ccc(cc1)OP(=S)(OC)OC

INCHI


InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3

Physicochemical Properties

Molecular weight:

325.342

Molar refractivity:

82.539

Num. bonds:

19

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

1

Num. oxygen atoms:

5

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

19.09

Lipophilicity

ALogP:

0.783

MLogP:

1.57

XLogP:

1.34

Water Solubility

CLogS:

-2.021

Geometric

PPSA-1:

367.254

PNSA-1:

167.211

RPCS:

1.781

RNCS:

5.244

THSA:

377.01

TPSA:

157.456

RHSA:

0.705

RPSA:

0.295

Electrostatic

RPCG:

0.18

RNCG:

0.189

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.316

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

115.35
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.478

QEI:

0.808

Gau:

5.144