Base information
| Cat. No. | |
| CAS No. | 110884-53-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H8ClN3O |
| Molecular Weight | 149.579 |
| Exact Mass | 149.036 |
| XLogP3 | 1.3837 |
| Mr | 36.4491 |
| PSA | 63.93 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(n[nH]1)N.Cl |
