Molecule ID: mol3122
SMILES: NCC(=O)NCCNC(=O)CN
InChI: InChI=1S/C6H14N4O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4,7-8H2,(H,9,11)(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.63 | IUPAC digitized pKa | 1 » 0 |
| 7.63 | AttenGpKa training set | 1 » 0 |
| 7.63 | QSARToolbox | 1 » 0 |
| 8.05 | OCHEM | 1 » 0 |
| 8.35 | AttenGpKa training set | 1 » 0 |
| 8.35 | IUPAC digitized pKa | 2 » 1 |
| 8.35 | QSARToolbox | 1 » 0 |