Molecule ID: mol262
SMILES: CN(C)CCCCc1ccc(C(C)(C)C)cc1
InChI: InChI=1S/C16H27N/c1-16(2,3)15-11-9-14(10-12-15)8-6-7-13-17(4)5/h9-12H,6-8,13H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | QSARToolbox | 1 » 0 |
| 9.90 | OCHEM | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Settimo | 1 » 0 |
| 9.90 | AttenGpKa training set | 1 » 0 |