Base information
| Cat. No. | |
| CAS No. | 13745-27-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.257 |
| Exact Mass | 237.09 |
| XLogP3 | 2.1993 |
| Mr | 68.6645 |
| PSA | 47.78 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C(c1nc2c(n1C)cccc2)c1ccncc1 |
