Molecule ID: mol31412
SMILES: NCCCCC(N)C(=O)NO
InChI: InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | AttenGpKa training set | 2 » 1 |
| 7.90 | QSARToolbox | 2 » 1 |
| 7.93 | QSARToolbox | 2 » 1 |
| 9.14 | AttenGpKa training set | 1 » 0 |
| 10.60 | AttenGpKa training set | 0 » -1 |