Molecule ID: mol2938
SMILES: Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.01 | Novartis | 0 » -1 |
| 13.09 | Baltruschat ChEMBL | 0 » -1 |