Base information
| Cat. No. | |
| CAS No. | 442-51-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.247 |
| Exact Mass | 212.095 |
| XLogP3 | 3.0331 |
| Mr | 65.0577 |
| PSA | 37.91 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)[nH]c1c2ccnc1C |
