Molecule ID: mol17777
SMILES: O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O
InChI: InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20,28H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 1 » 0 |