Molecule ID: mol19945
SMILES: NC[C@H]1CC[C@H](C(=O)O)CC1
InChI: InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | AttenGpKa training set | 1 » 0 |
| 9.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.60 | AttenGpKa training set | 0 » -1 |