Molecule ID: mol36932
SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(/C=C/c3ccccc3)cn21
InChI: InChI=1S/C16H18N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-8,12-15,19-22H,9H2/b7-6+/t12-,13-,14+,15+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.77 | QSARToolbox | 1 » 0 |