Molecule ID: mol17076
SMILES: NCC1(CC(=O)O)CCCCC1
InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | QSARToolbox | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |
| 3.90 | Baltruschat ChEMBL | 1 » 0 |
| 4.10 | Baltruschat ChEMBL | 1 » 0 |
| 9.37 | QSARToolbox | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |
| 10.50 | Baltruschat ChEMBL | 0 » -1 |