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Common name


2-methoxyethylmercury chloride

Formula


C3H7ClHgO

CAS


123-88-6

IUPAC name


chloro(2-methoxyethyl)mercury

SMILES


[CH2]COC.[Cl-].[Hg+]

INCHI


InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1

Physicochemical Properties

Molecular weight:

60.058

Molar refractivity:

17.306

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

3.01

Lipophilicity

ALogP:

0.301

MLogP:

1.68

XLogP:

0.443

Water Solubility

CLogS:

-0.636

Geometric

PPSA-1:

348.894

PNSA-1:

99.309

RPCS:

2.873

RNCS:

26.442

THSA:

418.899

TPSA:

29.305

RHSA:

0.935

RPSA:

0.065

Electrostatic

RPCG:

0.132

RNCG:

0.902

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.333

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

9.23
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

4.561

QEF:

0.642

Gau:

0.977557