Molecule ID: mol5910
SMILES: CCC(O)CN(C)CC(O)CC
InChI: InChI=1S/C9H21NO2/c1-4-8(11)6-10(3)7-9(12)5-2/h8-9,11-12H,4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.65 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | 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 |