Base information
| Cat. No. | |
| CAS No. | 153239-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5IN2O |
| Molecular Weight | 236.01 |
| Exact Mass | 235.945 |
| XLogP3 | 0.3849 |
| Mr | 42.476 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1ncc(cc1=O)I |
