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Common name


phenylmercury acetate

Formula


C8H8HgO2

CAS


62-38-4

IUPAC name


phenylmercury(II) acetate

SMILES


c1cc[c]cc1.CC(=O)[O-].[Hg+]

INCHI


InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1

Physicochemical Properties

Molecular weight:

338.023

Molar refractivity:

42

Num. bonds:

11

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

11

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

11.03

Lipophilicity

ALogP:

0.875

MLogP:

2.01

XLogP:

1.214

Water Solubility

CLogS:

-1.364

Geometric

PPSA-1:

585.909

PNSA-1:

237.423

RPCS:

78.902

RNCS:

38.796

THSA:

543.884

TPSA:

279.448

RHSA:

0.661

RPSA:

0.339

Electrostatic

RPCG:

0.968

RNCG:

0.582

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.273

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

26.3
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.91

QEF:

0.938

Gau:

5.99835