Molecule ID: mol17782
SMILES: O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O
InChI: InChI=1S/C25H28N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-15,18,21,28H,2,5-6,9-11,16H2,(H,26,29)(H,27,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 0 » -1 |