methylmercuryylium

• ChemBase ID: 3330
• Molecular Formular: CH3Hg+
• Molecular Mass: 215.62452
• Monoisotopic Mass: 216.9941181
• SMILES: C[Hg+]
• Canonical SMILES: C[Hg+]
• InChI: InChI=1S/CH3.Hg/h1H3;/q;+1
• InChIKey: DBUXSCUEGJMZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylmercuryylium
• IUPAC Traditional name: methylmercury(1+)
• Synonyms: Methyl Mercury Ion

Database IDs

• PubChem SID: 46504959; 160966771
• PubChem CID: 6860

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4886
• LogD (pH = 7.4): 0.4886
• Log P: 0.4886
• Molar Refractivity: 5.5491 cm^3
• Polarizability: 9.968604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.06
• LOG S: -0.52
• Solubility (Water): 7.63e+01 g/l

DETAILS

DrugBank - DB03674

Drug information: experimental