Base information
| Cat. No. | |
| CAS No. | 80047-24-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.235 |
| Exact Mass | 229.085 |
| XLogP3 | 1.5445 |
| Mr | 63.3546 |
| PSA | 88.84 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1cc(c2ccncc2)c([nH]c1=O)C |
