Base information
| Cat. No. | |
| CAS No. | 206884-98-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N3O3 |
| Molecular Weight | 299.324 |
| Exact Mass | 299.127 |
| XLogP3 | 2.86708 |
| Mr | 80.6983 |
| PSA | 88.14 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(ccc1OCC(C)(C)C)n1ncc(c1)C(=O)O |
