Base information
| Cat. No. | |
| CAS No. | 87628-42-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.278 |
| Exact Mass | 229.122 |
| XLogP3 | 2.0598 |
| Mr | 69.8574 |
| PSA | 49.94 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)c1n[nH]c2c1CNCC2 |
