Base information
| Cat. No. | |
| CAS No. | 40061-45-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.221 |
| Exact Mass | 198.079 |
| XLogP3 | 1.902 |
| Mr | 56.7135 |
| PSA | 42.85 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)Cc1cnccn1 |
