Molecule ID: mol27549
SMILES: COc1ccc(C(=O)NC(N)=S)cc1
InChI: InChI=1S/C9H10N2O2S/c1-13-7-4-2-6(3-5-7)8(12)11-9(10)14/h2-5H,1H3,(H3,10,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.37 | AttenGpKa training set | 2 » 1 |
| -4.34 | AttenGpKa training set | 2 » 1 |