Molecule ID: mol2422
SMILES: CC(C)NCCc1ccc(O)cc1
InChI: InChI=1S/C11H17NO/c1-9(2)12-8-7-10-3-5-11(13)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.49 | QSARToolbox | 1 » 0 |
| 9.49 | IUPAC digitized pKa | 1 » 0 |
| 9.49 | Hunt | 1 » 0 |
| 9.59 | Datawarrior | 1 » 0 |
| 9.59 | OCHEM | 1 » 0 |
| 9.59 | OCHEM | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |
| 10.75 | IUPAC digitized pKa | 0 » -1 |
| 10.75 | Datawarrior | 0 » -1 |
| 10.75 | OCHEM | 0 » -1 |
| 10.75 | OCHEM | 0 » -1 |