Molecule ID: mol5907
SMILES: CCC(O)CN(CC)CCO
InChI: InChI=1S/C8H19NO2/c1-3-8(11)7-9(4-2)5-6-10/h8,10-11H,3-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |