• ChemBase ID: 3741
• Molecular Formular: Br12Ta6
• Molecular Mass: 2044.5354
• Monoisotopic Mass: 2032.708014
• SMILES: [Br]1[Ta]2345[Br][Ta]6789%10%11%122[Br][Ta]2%13%14%15%163[Br][Ta]31462([Br][Ta]17%133([Br]%14)([Br][Ta]58%151([Br]%16)([Br]9)[Br]%10)[Br]%11)[Br]%12
• Canonical SMILES: [Br]1[Ta]234567[Ta]89%10%11%12%13%141[Ta]1%15%165([Br]3)([Ta]357([Br]2)([Ta]68([Br]4)([Br]%12)([Br]%13)([Ta]%1413([Br]9)[Br]%15)[Br]5)([Br]%10)[Br]%16)[Br]%11
• InChI: InChI=1S/12Br.6Ta
• InChIKey: CJVLLWDZYINSDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Hexatantalum Dodecabromide

Database IDs

• PubChem SID: 46506269; 160967179
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 104.8224 cm^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

DrugBank - DB04119

Drug information: experimental