Base information
| Cat. No. | |
| CAS No. | 1000895-53-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.293 |
| Exact Mass | 247.132 |
| XLogP3 | 2.3755 |
| Mr | 70.2361 |
| PSA | 73.16 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1cc(CCc2[nH]nc(c2)N)cc(c1)OC |