{[2-(cyanoselanyl)ethyl]selanyl}carbonitrile

• ChemBase ID: 81941
• Molecular Formular: C4H4N2Se2
• Molecular Mass: 238.00796
• Monoisotopic Mass: 239.87049014
• SMILES: N#C[Se]CC[Se]C#N
• Canonical SMILES: N#C[Se]CC[Se]C#N
• InChI: InChI=1S/C4H4N2Se2/c5-3-7-1-2-8-4-6/h1-2H2
• InChIKey: MRLOSYPFSZXYDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(cyanoselanyl)ethyl]selanyl}carbonitrile
• IUPAC Traditional name: [2-(cyanoselanyl)ethyl]selanylcarbonitrile
• Synonyms: 2-(cyanoseleno)ethyl selenocyanate

Database IDs

• MDL Number: MFCD00276485
• PubChem SID: 162069060
• PubChem CID: 313484

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): -0.1212
• LogD (pH = 7.4): -0.1212
• Log P: -0.1212
• Molar Refractivity: 49.0766 cm^3
• Polarizability: 9.430911 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2