Molecule ID: mol9835
SMILES: NCCCC[C@H](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)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | AttenGpKa training set | 2 » 1 |
| 7.93 | IUPAC digitized pKa | 2 » 1 |
| 7.98 | QSARToolbox | 2 » 1 |
| 8.11 | QSARToolbox | 1 » 0 |