Molecule ID: mol638
SMILES: CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 1 » 0 |
| 8.71 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 1 » 0 |
| 9.14 | OCHEM | 1 » 0 |
| 9.14 | Hunt | 1 » 0 |