Molecule ID: mol3423
SMILES: CC(C)NCC(O)c1cccc(N)c1
InChI: InChI=1S/C11H18N2O/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7,12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | QSARToolbox | 2 » 1 |
| 4.22 | QSARToolbox | 2 » 1 |
| 4.22 | IUPAC digitized pKa | 2 » 1 |
| 4.22 | Datawarrior | 2 » 1 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | Datawarrior | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |