Molecule ID: mol14709
SMILES: CN(C)CCCCN1C=Nc2cccc3cccc1c23
InChI: InChI=1S/C17H21N3/c1-19(2)11-3-4-12-20-13-18-15-9-5-7-14-8-6-10-16(20)17(14)15/h5-10,13H,3-4,11-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Datawarrior | 2 » 1 |
| 5.30 | Baltruschat ChEMBL | 2 » 1 |
| 5.30 | OCHEM | 2 » 1 |