Base information
| Cat. No. | |
| CAS No. | 1044589-83-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12ClN3O4 |
| Molecular Weight | 309.705 |
| Exact Mass | 309.052 |
| XLogP3 | -0.3004 |
| Mr | 73.2984 |
| PSA | 100.63 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 35 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@]([C@@H]1O)(O)C#C)n1ccc2c1ncnc2Cl |
