Base information
| Cat. No. | |
| CAS No. | 85753-43-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H13N3O |
| Molecular Weight | 311.337 |
| Exact Mass | 311.106 |
| XLogP3 | 4.5278 |
| Mr | 100.124 |
| PSA | 60.68 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 42 |
| Ring number | 6 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1NCc2c1c1c([nH]c3c1cccc3)c1c2c2ccccc2[nH]1 |
