Base information
| Cat. No. | |
| CAS No. | 78322-96-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H7N3 |
| Molecular Weight | 181.193 |
| Exact Mass | 181.064 |
| XLogP3 | 2.01528 |
| Mr | 52.183 |
| PSA | 49.57 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)c1ncccn1 |
