Base information
| Cat. No. | |
| CAS No. | 79088-29-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12ClN3O3 |
| Molecular Weight | 221.641 |
| Exact Mass | 221.057 |
| XLogP3 | 1.8073 |
| Mr | 55.0178 |
| PSA | 83.87 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCCCn1c(C)ncc1[N+](=O)[O-].Cl |
