Molecule ID: mol1145
SMILES: CC(C)NCC(=O)c1ccc(O)cc1
InChI: InChI=1S/C11H15NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,12-13H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.53 | Hunt | 0 » -1 |
| 7.53 | IUPAC digitized pKa | 1 » 0 |
| 7.53 | QSARToolbox | 0 » -1 |
| 7.56 | OCHEM | 0 » -1 |
| 7.56 | Datawarrior | 0 » -1 |
| 7.59 | OCHEM | 0 » -1 |
| 7.64 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | OCHEM | 0 » -1 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |
| 9.58 | Datawarrior | 0 » -1 |
| 9.58 | OCHEM | 0 » -1 |