Molecule ID: mol26715
SMILES: O=S(=O)(O)c1ccc2cc3ccccc3nc2c1
InChI: InChI=1S/C13H9NO3S/c15-18(16,17)11-6-5-10-7-9-3-1-2-4-12(9)14-13(10)8-11/h1-8H,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | AttenGpKa training set | 1 » 0 |
| 4.74 | AttenGpKa training set | 0 » -1 |