Base information
| Cat. No. | |
| CAS No. | 729-13-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9N3O2 |
| Molecular Weight | 239.229 |
| Exact Mass | 239.069 |
| XLogP3 | 3.6613 |
| Mr | 70.3517 |
| PSA | 74.5 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1ccc(cc1)c1nc2c([nH]1)cccc2 |
