Molecule ID: mol107
SMILES: CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
InChI: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.57 | QSARToolbox | 1 » 0 |
| 9.57 | OCHEM | 1 » 0 |
| 9.57 | OCHEM | 1 » 0 |
| 9.57 | Baltruschat ChEMBL | 1 » 0 |
| 9.57 | Baltruschat ChEMBL | 1 » 0 |
| 9.57 | Settimo | 1 » 0 |
| 9.57 | Settimo | 1 » 0 |
| 9.57 | Settimo | 1 » 0 |