Base information
| Cat. No. | |
| CAS No. | 112088-77-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11ClN4O |
| Molecular Weight | 274.706 |
| Exact Mass | 274.062 |
| XLogP3 | 2.5366 |
| Mr | 72.574 |
| PSA | 52.83 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Cn1cnc2c1c(Cl)ncn2 |
