Molecule ID: mol5442
SMILES: NNC(=O)C(N)Cc1ccccc1
InChI: InChI=1S/C9H13N3O/c10-8(9(13)12-11)6-7-4-2-1-3-5-7/h1-5,8H,6,10-11H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | OCHEM | 1 » 0 |
| 7.06 | QSARToolbox | 1 » 0 |
| 7.06 | IUPAC digitized pKa | 1 » 0 |
| 7.06 | Datawarrior | 1 » 0 |