phenylmercury

• ChemBase ID: 4126
• Molecular Formular: C6H5Hg
• Molecular Mass: 277.6939
• Monoisotopic Mass: 279.00976816
• SMILES: [Hg]c1ccccc1
• Canonical SMILES: [Hg]c1ccccc1
• InChI: InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H
• InChIKey: DCNLOVYDMCVNRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylmercury
• IUPAC Traditional name: @phenylmercury
• Synonyms: Phenylmercury

Database IDs

• PubChem SID: 160967558; 46507439
• PubChem CID: 567

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9022
• LogD (pH = 7.4): 0.9022
• Log P: 0.9022
• Molar Refractivity: 25.4743 cm^3
• Polarizability: 17.181446 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.55
• LOG S: -0.74
• Solubility (Water): 5.07e+01 g/l

DETAILS

DrugBank - DB04558

Drug information: experimental