Base information
| Cat. No. | |
| CAS No. | 1335202-59-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N2O3S |
| Molecular Weight | 316.375 |
| Exact Mass | 316.088 |
| XLogP3 | 3.86568 |
| Mr | 85.1033 |
| PSA | 111.45 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCC(Oc1ccc(cc1C#N)c1nc(c(s1)C(=O)O)C)C |
