Base information
| Cat. No. | |
| CAS No. | 66389-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.278 |
| Exact Mass | 232.121 |
| XLogP3 | 2.97388 |
| Mr | 64.6717 |
| PSA | 62.12 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)CNC(=O)OC(C)(C)C |
