Molecule ID: mol31449
SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)NO
InChI: InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.04 | AttenGpKa training set | 1 » 0 |
| 9.09 | AttenGpKa training set | 0 » -1 |
| 9.09 | QSARToolbox | 0 » -1 |