Molecule ID: mol389
SMILES: CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChI: InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.04 | OCHEM | 1 » 0 |
| 9.04 | Baltruschat ChEMBL | 1 » 0 |
| 9.04 | Baltruschat ChEMBL | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | Settimo | 1 » 0 |
| 9.30 | Settimo | 1 » 0 |