Base information
| Cat. No. | |
| CAS No. | 76081-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H15N3O |
| Molecular Weight | 277.321 |
| Exact Mass | 277.122 |
| XLogP3 | 3.28778 |
| Mr | 80.659 |
| PSA | 50.32 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 38 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCc1c(C)nc2n1cccc2OCc1ccccc1 |
