(Z)-N'-hydroxy-2-(naphthalen-1-yloxy)ethenimidamide

• ChemBase ID: 124488
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: C(=N\O)(/COc1c2c(ccc1)cccc2)\N
• Canonical SMILES: O/N=C(/COc1cccc2c1cccc2)\N
• InChI: InChI=1S/C12H12N2O2/c13-12(14-15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,15H,8H2,(H2,13,14)
• InChIKey: YXGUKKZSQSABDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(naphthalen-1-yloxy)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(naphthalen-1-yloxy)ethenimidamide
• Synonyms: (Z)-N'-hydroxy-2-(naphthalen-1-yloxy)acetimidamide

Database IDs

• PubChem SID: 162218841
• PubChem CID: 24700721

CALCULATED PROPERTIES

• Acid pKa: 9.685504
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5418198
• LogD (pH = 7.4): 1.5404822
• Log P: 1.5427384
• Molar Refractivity: 60.822 cm^3
• Polarizability: 24.757195 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true