Molecule ID: mol3410
SMILES: CCC(O)(C(=N)N)c1ccccc1
InChI: InChI=1S/C10H14N2O/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H3,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.06 | IUPAC digitized pKa | 1 » 0 |
| 11.40 | OCHEM | 0 » -1 |
| 11.40 | OCHEM | 0 » -1 |
| 11.60 | QSARToolbox | 0 » -1 |
| 12.86 | QSARToolbox | 0 » -1 |
| 12.86 | IUPAC digitized pKa | 0 » -1 |