Base information
| Cat. No. | |
| CAS No. | 851371-58-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N5O |
| Molecular Weight | 239.233 |
| Exact Mass | 239.081 |
| XLogP3 | 2.357 |
| Mr | 65.1644 |
| PSA | 90.72 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1ncc(c(n1)c1ccco1)c1ccncn1 |
