Base information
| Cat. No. | |
| CAS No. | 145861-59-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N4O2 |
| Molecular Weight | 240.218 |
| Exact Mass | 240.065 |
| XLogP3 | 3.0563 |
| Mr | 68.1467 |
| PSA | 87.39 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1 |
