Molecule ID: mol27538
SMILES: Cc1cccc(C(=O)NC(N)=S)c1
InChI: InChI=1S/C9H10N2OS/c1-6-3-2-4-7(5-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.62 | AttenGpKa training set | 2 » 1 |
| -4.43 | AttenGpKa training set | 2 » 1 |