Base information
| Cat. No. | |
| CAS No. | 1191237-69-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13N5O4 |
| Molecular Weight | 291.263 |
| Exact Mass | 291.097 |
| XLogP3 | -1.27552 |
| Mr | 68.4808 |
| PSA | 149.92 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 36 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N |
