Molecule ID: mol5178
SMILES: CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](O)C2
InChI: InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | IUPAC digitized pKa | 1 » 0 |
| 10.27 | QSARToolbox | 0 » -1 |
| 10.91 | IUPAC digitized pKa | 0 » -1 |
| 11.00 | IUPAC digitized pKa | 0 » -1 |
| 11.12 | QSARToolbox | 0 » -1 |
| 11.15 | IUPAC digitized pKa | 0 » -1 |
| 11.22 | QSARToolbox | 0 » -1 |