azete

• ChemBase ID: 126000
• Molecular Formular: C3H3N
• Molecular Mass: 53.06262
• Monoisotopic Mass: 53.0265491
• SMILES: C1=CN=C1
• Canonical SMILES: C1=CC=N1
• InChI: InChI=1S/C3H3N/c1-2-4-3-1/h1-3H
• InChIKey: LKSPYOVNNMPMIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azete
• IUPAC Traditional name: azete
• Synonyms: Azete

Database IDs

• CAS Number: 287-24-1
• PubChem SID: 162220343
• PubChem CID: 20185374
• Chemspider ID: 14804701
• Wikipedia Title: Azete

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.1641538
• LogD (pH = 7.4): -0.46446645
• Log P: 0.008534103
• Molar Refractivity: 17.0362 cm^3
• Polarizability: 6.013449 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true