Molecule ID: mol16149
SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12
InChI: InChI=1S/C18H20N4O/c1-22(2)11-10-20-18(23)14-8-5-7-13-16(19)12-6-3-4-9-15(12)21-17(13)14/h3-9H,10-11H2,1-2H3,(H2,19,21)(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Baltruschat ChEMBL | 1 » 0 |
| 8.30 | Baltruschat ChEMBL | 1 » 0 |
| 8.30 | Baltruschat ChEMBL | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |