Molecule ID: mol14595
SMILES: CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1
InChI: InChI=1S/C11H11N3O2/c1-7-5-8(2)13-11-6-9(14(15)16)3-4-10(11)12-7/h3-4,6H,5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | Datawarrior | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | Datawarrior | 1 » 0 |