Base information
| Cat. No. | |
| CAS No. | 75737-38-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11N5O |
| Molecular Weight | 241.249 |
| Exact Mass | 241.096 |
| XLogP3 | 1.7436 |
| Mr | 67.4994 |
| PSA | 86.72 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Oc1cccc(c1)CNc1ncnc2c1nc[nH]2 |
