Molecule ID: mol8544
SMILES: NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
InChI: InChI=1S/C13H16N4O/c14-12(13(15)18)6-11-8-17(9-16-11)7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H2,15,18)/t12-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | IUPAC digitized pKa | 2 » 1 |
| 7.63 | IUPAC digitized pKa | 1 » 0 |