Molecule ID: mol15101
SMILES: NNC(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1
InChI: InChI=1S/C14H17N5O3/c15-19-13(20)12(6-11-7-16-9-17-11)18-14(21)22-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,15H2,(H,16,17)(H,18,21)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | Datawarrior | 2 » 1 |
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |