Base information
| Cat. No. | |
| CAS No. | 106719-74-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H21IN2O5 |
| Molecular Weight | 448.253 |
| Exact Mass | 448.05 |
| XLogP3 | 1.8987 |
| Mr | 98.6853 |
| PSA | 106.94 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 45 |
| Ring number | 1 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CCc1ccc(c(c1NC(=O)CN(CC(=O)O)CC(=O)O)CC)I |
