Base information
| Cat. No. | |
| CAS No. | 21323-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N5O2 |
| Molecular Weight | 255.232 |
| Exact Mass | 255.076 |
| XLogP3 | 0.9715 |
| Mr | 68.7236 |
| PSA | 103.53 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)Nc1[nH]c(=O)c2c(n1)[nH]cn2 |
