Molecule ID: mol8793
SMILES: c1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1
InChI: InChI=1S/C26H28N6/c1-5-13-27-23(9-1)19-31(20-24-10-2-6-14-28-24)17-18-32(21-25-11-3-7-15-29-25)22-26-12-4-8-16-30-26/h1-16H,17-22H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.85 | IUPAC digitized pKa | 4 » 3 |
| 3.32 | IUPAC digitized pKa | 4 » 3 |
| 4.85 | IUPAC digitized pKa | 3 » 2 |
| 7.19 | IUPAC digitized pKa | 1 » 0 |