Base information
| Cat. No. | |
| CAS No. | 83657-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H18ClN3O |
| Molecular Weight | 291.776 |
| Exact Mass | 291.114 |
| XLogP3 | 3.3366 |
| Mr | 81.6348 |
| PSA | 50.94 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(C(C)(C)C)/C(=C/c1ccc(cc1)Cl)/n1ncnc1 |
