Base information
| Cat. No. | |
| CAS No. | 1593-08-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.157 |
| Exact Mass | 158.048 |
| XLogP3 | 1.4423 |
| Mr | 44.9255 |
| PSA | 42.85 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cnc2c(n1)cccc2 |
