Base information
| Cat. No. | |
| CAS No. | 180300-54-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13N5O4 |
| Molecular Weight | 291.263 |
| Exact Mass | 291.097 |
| XLogP3 | -1.3954 |
| Mr | 70.4878 |
| PSA | 139.54 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 36 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@@]1(O)C#C)O)n1cnc2c1ncnc2N |
