Base information
| Cat. No. | |
| CAS No. | 100306-70-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.235 |
| Exact Mass | 229.085 |
| XLogP3 | 3.1981 |
| Mr | 66.8517 |
| PSA | 70.74 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cnccc1NCc1ccccc1 |
