Base information
| Cat. No. | |
| CAS No. | 439146-20-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7ClN2O |
| Molecular Weight | 158.586 |
| Exact Mass | 158.025 |
| XLogP3 | 1.907 |
| Mr | 40.1434 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N)nc(c1)Cl |
