(hydroxyimino)urea

• ChemBase ID: 128628
• Molecular Formular: CH3N3O2
• Molecular Mass: 89.05342
• Monoisotopic Mass: 89.02252635
• SMILES: NC(=O)/N=N/O
• Canonical SMILES: NC(=O)/N=N/O
• InChI: InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)
• InChIKey: OSTGTTZJOCZWJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (hydroxyimino)urea
• IUPAC Traditional name: nitrosourea
• Synonyms: Nitrosourea

Database IDs

• CAS Number: 13010-20-3
• PubChem SID: 162222935
• PubChem CID: 105035
• Chemspider ID: 94772
• Wikipedia Title: Nitrosourea

CALCULATED PROPERTIES

• Acid pKa: 9.659766
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.61827046
• LogD (pH = 7.4): -0.62054276
• Log P: -0.61824137
• Molar Refractivity: 18.8214 cm^3
• Polarizability: 6.2530785 Å^3
• Polar Surface Area: 88.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true