Base information
| Cat. No. | |
| CAS No. | 76982-31-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9N5O2 |
| Molecular Weight | 243.221 |
| Exact Mass | 243.076 |
| XLogP3 | 2.64718 |
| Mr | 66.4714 |
| PSA | 113.45 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(C)nn(c1N)c1ccc(cc1)[N+](=O)[O-] |
