Responsive image

Common name


ethylmercury chloride

Formula


C2H5ClHg

CAS


107-27-7

IUPAC name


chloroethylmercury

SMILES


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

INCHI


InChI=1S/C2H5.ClH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1

Physicochemical Properties

Molecular weight:

265.979

Molar refractivity:

13.818

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

3.02

Lipophilicity

ALogP:

0.561

MLogP:

1.46

XLogP:

1.398

Water Solubility

CLogS:

-1.982

Geometric

PPSA-1:

222.17

PNSA-1:

329.705

RPCS:

74.902

RNCS:

86.527

THSA:

303.136

TPSA:

248.739

RHSA:

0.549

RPSA:

0.451

Electrostatic

RPCG:

0.998

RNCG:

0.718

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:

0
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.471

QEF:

0.701

Gau:

5.98766