Molecule ID: mol26725
SMILES: Nc1ccc2cc3cc(S(N)(=O)=O)ccc3nc2c1
InChI: InChI=1S/C13H11N3O2S/c14-10-2-1-8-5-9-6-11(19(15,17)18)3-4-12(9)16-13(8)7-10/h1-7H,14H2,(H2,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | AttenGpKa training set | 1 » 0 |
| 11.00 | AttenGpKa training set | 0 » -1 |