Molecule ID: mol17466
SMILES: CC[C@@H](CO)NCCN[C@@H](CC)CO
InChI: InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | OCHEM | 2 » 1 |
| 6.60 | AttenGpKa training set | 2 » 1 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | AttenGpKa training set | 1 » 0 |