Base information
| Cat. No. | |
| CAS No. | 142885-91-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N4O3S |
| Molecular Weight | 344.388 |
| Exact Mass | 344.094 |
| XLogP3 | 4.307 |
| Mr | 95.3427 |
| PSA | 121.92 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)[nH]c(n2)SCc1ncc(c(c1C)[N+](=O)[O-])C |
