Molecule ID: mol17676
SMILES: NCCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C27H31N5O4S/c28-17-7-3-1-2-4-8-18-37(35,36)31-21-13-11-20(12-14-21)29-27-23-9-5-6-10-25(23)30-26-19-22(32(33)34)15-16-24(26)27/h5-6,9-16,19,31H,1-4,7-8,17-18,28H2,(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | Baltruschat ChEMBL | 2 » 1 |