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Common name


ethylmercury phosphate

Formula


C2H7HgO4P

CAS


2235-25-8

IUPAC name


ethylmercury(II) dihydrogentetraoxophosphate

SMILES


[CH2]C.[Hg+].[O-]P(=O)(O)O

INCHI


InChI=1S/C2H5.Hg.H3O4P/c1-2;;1-5(2,3)4/h1H2,2H3;;(H3,1,2,3,4)/q;+1;/p-1

Physicochemical Properties

Molecular weight:

327.979

Molar refractivity:

21.067

Num. bonds:

7

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

8

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

2

Complexity of system:

7.06

Lipophilicity

ALogP:

-0.58

MLogP:

1.02

XLogP:

-0.81

Water Solubility

CLogS:

0.051

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.429

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

5

TopoPSA:

76.57
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.795

QEF:

0.484

Gau:

4.47962