(E,Z)-1-N',2-N'-dihydroxyethabis(imidamide)

• ChemBase ID: 120337
• Molecular Formular: C2H6N4O2
• Molecular Mass: 118.09464
• Monoisotopic Mass: 118.04907545
• SMILES: C(=N\O)(/C(=N\O)/N)\N
• Canonical SMILES: O/N=C(\C(=N\O)\N)/N
• InChI: InChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)
• InChIKey: BFXWFQSYMVKOCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E,Z)-1-N',2-N'-dihydroxyethabis(imidamide)
• IUPAC Traditional name: (E,Z)-1-N',2-N'-dihydroxyethabis(imidamide)
• Synonyms: (1Z,2E)-N'1,N'2-dihydroxyoxalimidamide

Database IDs

• PubChem SID: 162214690
• PubChem CID: 5357098

CALCULATED PROPERTIES

• Acid pKa: 10.714133
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -1.7475142
• LogD (pH = 7.4): -1.744595
• Log P: -1.7443439
• Molar Refractivity: 25.9706 cm^3
• Polarizability: 9.735269 Å^3
• Polar Surface Area: 117.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true