Base information
| Cat. No. | |
| CAS No. | 554453-19-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7N3 |
| Molecular Weight | 157.172 |
| Exact Mass | 157.064 |
| XLogP3 | 1.62898 |
| Mr | 45.6157 |
| PSA | 52.47 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCc1c[nH]c2c1nccc2 |
