Base information
| Cat. No. | |
| CAS No. | 175166-50-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.221 |
| Exact Mass | 198.079 |
| XLogP3 | 1.43038 |
| Mr | 59.219 |
| PSA | 45.38 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCC1=N[C@@H]2[C@H](O1)Cc1c2cccc1 |
