Molecule ID: mol17687
SMILES: NCCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C24H24N6O5S/c25-12-11-23(31)26-13-14-36(34,35)29-17-7-5-16(6-8-17)27-24-19-3-1-2-4-21(19)28-22-15-18(30(32)33)9-10-20(22)24/h1-10,15,29H,11-14,25H2,(H,26,31)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | Baltruschat ChEMBL | 2 » 1 |