Molecule ID: mol17151
SMILES: O=c1c2ccccc2n(CCCCN(CCO)CCO)c2ccc(Cl)cc12
InChI: InChI=1S/C21H25ClN2O3/c22-16-7-8-20-18(15-16)21(27)17-5-1-2-6-19(17)24(20)10-4-3-9-23(11-13-25)12-14-26/h1-2,5-8,15,25-26H,3-4,9-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | OCHEM | 1 » 0 |
| 4.80 | Baltruschat ChEMBL | 1 » 0 |