Molecule ID: mol17012
SMILES: CC1=CN(c2ccc(S(N)(=O)=O)cc2)C(C2C=CN(C)C=C2)S1
InChI: InChI=1S/C16H19N3O2S2/c1-12-11-19(14-3-5-15(6-4-14)23(17,20)21)16(22-12)13-7-9-18(2)10-8-13/h3-11,13,16H,1-2H3,(H2,17,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.39 | Baltruschat ChEMBL | 0 » -1 |