(Z)-2-(2-chlorophenoxy)-N'-hydroxyethenimidamide

• ChemBase ID: 124486
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: C(=N\O)(/COc1c(Cl)cccc1)\N
• Canonical SMILES: O/N=C(/COc1ccccc1Cl)\N
• InChI: InChI=1S/C8H9ClN2O2/c9-6-3-1-2-4-7(6)13-5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: NDOSJMHHYUKPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2-(2-chlorophenoxy)-N'-hydroxyethenimidamide
• IUPAC Traditional name: (Z)-2-(2-chlorophenoxy)-N'-hydroxyethenimidamide
• Synonyms: (Z)-2-(2-chlorophenoxy)-N'-hydroxyacetimidamide

Database IDs

• PubChem SID: 162218839
• PubChem CID: 9580824

CALCULATED PROPERTIES

• Acid pKa: 8.7013
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1560624
• LogD (pH = 7.4): 1.1361164
• Log P: 1.1573064
• Molar Refractivity: 49.1766 cm^3
• Polarizability: 19.188292 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true