Molecule ID: mol38583
SMILES: CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1
InChI: InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.63 | QSARToolbox | 1 » 0 |