Base information
| Cat. No. | |
| CAS No. | 138479-47-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.183 |
| Exact Mass | 172.064 |
| XLogP3 | 1.6848 |
| Mr | 48.9515 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccccc1n1cccn1 |
