Molecule ID: mol13882
SMILES: O=C(/C=C/c1c[nH]cn1)OCCCl
InChI: InChI=1S/C8H9ClN2O2/c9-3-4-13-8(12)2-1-7-5-10-6-11-7/h1-2,5-6H,3-4H2,(H,10,11)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 1 » 0 |
| 4.80 | QSARToolbox | 1 » 0 |