Molecule ID: mol426
SMILES: COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1
InChI: InChI=1S/C15H19N3O2S/c1-20-11-5-6-12-13(9-11)21-15(16-12)17-14(19)10-18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | Settimo | 1 » 0 |
| 10.00 | OCHEM | 0 » -1 |
| 10.00 | Settimo | 0 » -1 |