Molecule ID: mol893
SMILES: CN(C)CCC(c1ccccc1)c1ccccc1
InChI: InChI=1S/C17H21N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.35 | Hunt | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.35 | QSARToolbox | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | Datawarrior | 1 » 0 |
| 9.43 | AttenGpKa training set | 1 » 0 |
| 10.00 | Baltruschat ChEMBL | 1 » 0 |