Molecule ID: mol11385
SMILES: N#CC12CCC(C(=O)O)(CC1)CC2
InChI: InChI=1S/C10H13NO2/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h1-6H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | IUPAC digitized pKa | 0 » -1 |
| 4.55 | AttenGpKa training set | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |