Molecule ID: mol3620
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(N)cn2)cc1
InChI: InChI=1S/C11H12N4O2S/c12-8-1-4-10(5-2-8)18(16,17)15-11-6-3-9(13)7-14-11/h1-7H,12-13H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | IUPAC digitized pKa | 3 » 2 |
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 8.47 | Datawarrior | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |