Molecule ID: mol21298
SMILES: CCCCNC1=Nc2ccccc2C(C)N1
InChI: InChI=1S/C13H19N3/c1-3-4-9-14-13-15-10(2)11-7-5-6-8-12(11)16-13/h5-8,10H,3-4,9H2,1-2H3,(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.70 | OCHEM | 0 » -1 |
| 10.70 | Baltruschat ChEMBL | 0 » -1 |