Base information
| Cat. No. | |
| CAS No. | 36945-98-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13N3O4 |
| Molecular Weight | 311.292 |
| Exact Mass | 311.091 |
| XLogP3 | 3.7881 |
| Mr | 94.0397 |
| PSA | 98.39 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 38 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-] |
