Molecule ID: mol5441
SMILES: NC(=NO)C(N)Cc1ccccc1
InChI: InChI=1S/C9H13N3O/c10-8(9(11)12-13)6-7-4-2-1-3-5-7/h1-5,8,13H,6,10H2,(H2,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | OCHEM | 2 » 1 |
| 7.06 | QSARToolbox | 2 » 1 |
| 7.06 | IUPAC digitized pKa | 2 » 1 |
| 7.06 | Datawarrior | 2 » 1 |