ZNN
- Molecular formula
- C6 H13 N5 O
- Molecular weight (g/mol)
- 171.2
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-(4-aminobutyl)-2-azidoacetamide
- SMILES
- C(CCNC(=O)CN=[N+]=[N-])CN
- Isomeric SMILES
- C(CCNC(=O)CN=[N+]=[N-])CN
- InChI
- InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)
- InChIKey
- SISZTIABCFMEIA-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 2
- TPSA (Ų)
- 103.88
- cLogP
- 0.15
- Chiral atoms
- 0
- Molar refractivity
- 45.31
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 0.83
- Formal charge
- 0
Calculated properties
QED0.257
NPScore-0.054825518
SAScore7.563298928