Molecule ID: mol6271
SMILES: N=C(NO)C(N)c1ccccc1
InChI: InChI=1S/C8H11N3O/c9-7(8(10)11-12)6-4-2-1-3-5-6/h1-5,7,12H,9H2,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.30 | QSARToolbox | 2 » 1 |
| 2.30 | IUPAC digitized pKa | 2 » 1 |
| 2.30 | Datawarrior | 2 » 1 |
| 7.15 | IUPAC digitized pKa | 1 » 0 |
| 7.15 | Datawarrior | 1 » 0 |
| 7.15 | OCHEM | 1 » 0 |