Molecule ID: mol18618
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(N=[N+]=[N-])ccc23)cc1
InChI: InChI=1S/C20H16N6O2S/c1-29(27,28)25-14-8-6-13(7-9-14)22-20-16-4-2-3-5-18(16)23-19-12-15(24-26-21)10-11-17(19)20/h2-12,25H,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.00 | Baltruschat ChEMBL | 1 » 0 |