Base information
| Cat. No. | |
| CAS No. | 31205-53-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.161 |
| Exact Mass | 161.059 |
| XLogP3 | 0.98468 |
| Mr | 43.2647 |
| PSA | 65.78 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1cc(cnc1)C#N |
