Molecule ID: mol37034
SMILES: O=C(O)CCCn1cc[n+](CCCC(=O)O)c1
InChI: InChI=1S/C11H16N2O4/c14-10(15)3-1-5-12-7-8-13(9-12)6-2-4-11(16)17/h7-9H,1-6H2,(H-,14,15,16,17)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | QSARToolbox | 1 » 0 |
| 3.65 | QSARToolbox | 1 » 0 |