(acetyloxy)mercuryylium

• ChemBase ID: 1933
• Molecular Formular: C2H3HgO2+
• Molecular Mass: 259.63402
• Monoisotopic Mass: 260.98394734
• SMILES: CC(=O)O[Hg+]
• Canonical SMILES: CC(=O)O[Hg+]
• InChI: InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1
• InChIKey: QWSOAYZXYZDDPB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)mercuryylium
• IUPAC Traditional name: @mercury acetate ion
• Synonyms: Mercury Acetate Ion

Database IDs

• PubChem SID: 160965388; 46508961
• PubChem CID: 16685160

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.7567
• LogD (pH = 7.4): -0.7567
• Log P: -0.7567
• Molar Refractivity: 11.7161 cm^3
• Polarizability: 12.773187 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.16
• LOG S: -0.56
• Solubility (Water): 8.15e+01 g/l

DETAILS

DrugBank - DB02176

Drug information: experimental