Molecule ID: mol20525
SMILES: CN(C)CCCCc1ccc(C2(C)COC2)cc1
InChI: InChI=1S/C16H25NO/c1-16(12-18-13-16)15-9-7-14(8-10-15)6-4-5-11-17(2)3/h7-10H,4-6,11-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | QSARToolbox | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | AttenGpKa training set | 1 » 0 |