Base information
| Cat. No. | |
| CAS No. | 107558-48-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11N3O |
| Molecular Weight | 237.257 |
| Exact Mass | 237.09 |
| XLogP3 | 1.9089 |
| Mr | 69.6117 |
| PSA | 58.64 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]nc(c2c1cccc2)Cc1ccncc1 |
