Molecule ID: mol19314
SMILES: CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)cc2n1
InChI: InChI=1S/C19H22N4O/c1-11-6-5-7-12(2)14(11)10-21-15-9-17(19(24)20-4)23-16-8-13(3)22-18(15)16/h5-9,22H,10H2,1-4H3,(H,20,24)(H,21,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.33 | QSARToolbox | 1 » 0 |
| 7.33 | OCHEM | 1 » 0 |
| 7.33 | Baltruschat ChEMBL | 1 » 0 |