Base information
| Cat. No. | |
| CAS No. | 149765-16-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12ClIN4O |
| Molecular Weight | 378.597 |
| Exact Mass | 377.974 |
| XLogP3 | 3.2735 |
| Mr | 80.0894 |
| PSA | 70.67 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)(C)C)Nc1nc(Cl)c2c(n1)[nH]cc2I |
