Molecule ID: mol15104
SMILES: CCNC(=CC(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1
InChI: InChI=1S/C14H15N3O4S/c1-2-16-14(17-7-6-15-10-17)9-13(18)11-4-3-5-12(8-11)22(19,20)21/h3-10,16H,2H2,1H3,(H,19,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | Datawarrior | 0 » -1 |
| 4.50 | OCHEM | 0 » -1 |