Molecule ID: mol2016
SMILES: NC1CCC(C(=O)O)CC1
InChI: InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.26 | OCHEM | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.30 | Hunt | 1 » 0 |
| 4.30 | OCHEM | 1 » 0 |
| 4.83 | QSARToolbox | 1 » 0 |
| 10.50 | OCHEM | 0 » -1 |
| 10.50 | Hunt | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |