N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide

• ChemBase ID: 79100
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: N(=C(\Cc1ccc(cc1)O)/N)/O
• Canonical SMILES: O/N=C(/Cc1ccc(cc1)O)\N
• InChI: InChI=1S/C8H10N2O2/c9-8(10-12)5-6-1-3-7(11)4-2-6/h1-4,11-12H,5H2,(H2,9,10)
• InChIKey: FTFFWVKTHDZJMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide
• IUPAC Traditional name: N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide
• Synonyms: N'-hydroxy-2-(4-hydroxyphenyl)ethanimidamide

Database IDs

• MDL Number: MFCD00109382
• PubChem SID: 162043863
• PubChem CID: 9582109

CALCULATED PROPERTIES

• Acid pKa: 9.490072
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.31785396
• LogD (pH = 7.4): 0.5593127
• Log P: 0.56713265
• Molar Refractivity: 45.1125 cm^3
• Polarizability: 17.17971 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true