Molecule ID: mol5915
SMILES: CCCN(CC(C)O)CC(O)CC
InChI: InChI=1S/C10H23NO2/c1-4-6-11(7-9(3)12)8-10(13)5-2/h9-10,12-13H,4-8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | Datawarrior | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |