Responsive image

Common name


phenylmercury nitrate

Formula


C6H5HgNO3

CAS


55-68-5

IUPAC name


phenylmercury(II) nitrate

SMILES


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

INCHI


InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1

Physicochemical Properties

Molecular weight:

340.998

Molar refractivity:

34.52

Num. bonds:

11

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

11

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

11.05

Lipophilicity

ALogP:

0.942

MLogP:

1.57

XLogP:

1.426

Water Solubility

CLogS:

-1.364

Geometric

PPSA-1:

175.792

PNSA-1:

327.156

RPCS:

57.472

RNCS:

32.506

THSA:

355.178

TPSA:

147.77

RHSA:

0.706

RPSA:

0.294

Electrostatic

RPCG:

0.976

RNCG:

0.571

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:

55.05
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.269

QEF:

0.682

Gau:

5.27522