Molecule ID: mol32514
SMILES: CN(C)Cc1cccc(NC(=O)C=NO)c1
InChI: InChI=1S/C11H15N3O2/c1-14(2)8-9-4-3-5-10(6-9)13-11(15)7-12-16/h3-7,16H,8H2,1-2H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 9.12 | OCHEM | 0 » -1 |