tetraphenylarsanium

• ChemBase ID: 4017
• Molecular Formular: C24H20As+
• Molecular Mass: 383.3372
• Monoisotopic Mass: 383.07809664
• SMILES: c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20As/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
• InChIKey: PJMJFVQKDBRMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylarsanium
• IUPAC Traditional name: tetraphenyl-arsonium
• Synonyms: Tetraphenyl-Arsonium

Database IDs

• PubChem SID: 160967452; 46508589
• PubChem CID: 68178

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1588
• LogD (pH = 7.4): 7.1588
• Log P: 7.1588
• Molar Refractivity: 101.8972 cm^3
• Polarizability: 43.18009 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

ALOGPS 2.1

• Log P: 6.62
• LOG S: -7.45
• Solubility (Water): 1.50e-05 g/l

DETAILS

DrugBank - DB04435

Drug information: experimental