Base information
| Cat. No. | |
| CAS No. | 131860-33-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17N3O5 |
| Molecular Weight | 403.387 |
| Exact Mass | 403.117 |
| XLogP3 | 4.09318 |
| Mr | 106.661 |
| PSA | 103.56 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC |
