Base information
| Cat. No. | |
| CAS No. | 1246349-97-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11ClIN3O |
| Molecular Weight | 399.614 |
| Exact Mass | 398.964 |
| XLogP3 | 3.7462 |
| Mr | 87.496 |
| PSA | 39.94 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Cn1nc(c2c1ccnc2Cl)I |
