Responsive image

Common name


edifenphos

Formula


C14H15O2PS2

CAS


17109-49-8

IUPAC name


O-ethyl S,S-diphenyl phosphorodithioate

SMILES


CCOP(=O)(Sc1ccccc1)Sc1ccccc1

INCHI


InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

Physicochemical Properties

Molecular weight:

310.025

Molar refractivity:

94.453

Num. bonds:

20

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

58.05

Lipophilicity

ALogP:

3.284

MLogP:

2.45

XLogP:

2.021

Water Solubility

CLogS:

-4.156

Geometric

PPSA-1:

415.859

PNSA-1:

279.562

RPCS:

4.047

RNCS:

3.833

THSA:

634.596

TPSA:

60.825

RHSA:

0.913

RPSA:

0.087

Electrostatic

RPCG:

0.256

RNCG:

0.255

Flexibility

Num. Rot. bonds: 6

6

Frac. of Rot. bonds:

0.3

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

86.71
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.684

QEF:

0.603

Gau:

5.66083