Molecule ID: mol18739
SMILES: CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCCN3CCOCC3)c(Cl)c1Cl)C2
InChI: InChI=1S/C23H27Cl2NO5/c1-2-23-4-3-16(27)12-17(23)20-15(13-23)11-18(21(24)22(20)25)31-14-19(28)30-10-7-26-5-8-29-9-6-26/h11-12H,2-10,13-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.08 | Baltruschat ChEMBL | 1 » 0 |