Molecule ID: mol5853
SMILES: CC(Cc1ccccc1)NCCNCCNC(C)Cc1ccccc1
InChI: InChI=1S/C22H33N3/c1-19(17-21-9-5-3-6-10-21)24-15-13-23-14-16-25-20(2)18-22-11-7-4-8-12-22/h3-12,19-20,23-25H,13-18H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | IUPAC digitized pKa | 3 » 2 |
| 8.18 | IUPAC digitized pKa | 2 » 1 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |