Base information
| Cat. No. | |
| CAS No. | 100939-89-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.268 |
| Exact Mass | 220.121 |
| XLogP3 | 1.0073 |
| Mr | 68.9632 |
| PSA | 41.57 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1)C(=O)N1CCNCC1 |
