Base information
| Cat. No. | |
| CAS No. | 50458-77-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.183 |
| Exact Mass | 172.064 |
| XLogP3 | 2.034 |
| Mr | 49.8379 |
| PSA | 55.98 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1ncc2c(c1)cccc2 |
