Common name
phenylmercury salicylate
Formula
C13H10HgO3
CAS
28086-13-7
IUPAC name
phenylmercury(II) salicylate
SMILES
c1ccc(c(c1)C(=O)O)[O-].c1cc[c]cc1.[Hg+]
INCHI
InChI=1S/C7H6O3.C6H5.Hg/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);1-5H;/q;;+1/p-1
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
Num. double bonds:
Num. triple bonds:
Num. heavy atoms:
Num. nitrogen atom:
Num. oxygen atoms:
Num. sulphur atoms :
Num. P atoms:
Num. halogen atoms:
Num. H-bond acc:
Num. H-bond donors:
Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
RPCS:
RNCS:
THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 4
Frac. of Rot. bonds:
AgroPAD
Photostability
Num. arom. bonds:
Num. arom. atoms:
Num. arom. rings:
Num. rings:
Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
QEF:
Gau:
