Molecule ID: mol20526
SMILES: CN(C)CCCCc1ccc(C2COC2)cc1
InChI: InChI=1S/C15H23NO/c1-16(2)10-4-3-5-13-6-8-14(9-7-13)15-11-17-12-15/h6-9,15H,3-5,10-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | AttenGpKa training set | 1 » 0 |