Base information
| Cat. No. | |
| CAS No. | 111198-02-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.246 |
| Exact Mass | 225.09 |
| XLogP3 | 2.4678 |
| Mr | 64.803 |
| PSA | 39.94 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 30 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)OCn1nnc2c1cccc2 |
