Molecule ID: mol21361
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(N=[N+]=[N-])ccc12
InChI: InChI=1S/C21H18N6O3S/c1-30-20-12-14(26-31(2,28)29)8-10-18(20)24-21-15-5-3-4-6-17(15)23-19-11-13(25-27-22)7-9-16(19)21/h3-12,26H,1-2H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.26 | Baltruschat ChEMBL | 1 » 0 |