(Z)-N'-hydroxy-2-(4-methoxyphenoxy)ethenimidamide

• ChemBase ID: 124487
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: C(=N\O)(/COc1ccc(cc1)OC)\N
• Canonical SMILES: COc1ccc(cc1)OC/C(=N/O)/N
• InChI: InChI=1S/C9H12N2O3/c1-13-7-2-4-8(5-3-7)14-6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
• InChIKey: MOUWIXXWWAOTFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2-(4-methoxyphenoxy)ethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2-(4-methoxyphenoxy)ethenimidamide
• Synonyms: (Z)-N'-hydroxy-2-(4-methoxyphenoxy)acetimidamide

Database IDs

• PubChem SID: 162218840
• PubChem CID: 9580966

CALCULATED PROPERTIES

• Acid pKa: 8.998544
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.39452404
• LogD (pH = 7.4): 0.3847679
• Log P: 0.39559042
• Molar Refractivity: 50.835 cm^3
• Polarizability: 19.792107 Å^3
• Polar Surface Area: 77.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true