Molecule ID: mol18742
SMILES: CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NCCN(C)C)c(Cl)c1Cl)C2
InChI: InChI=1S/C22H28Cl2N2O3/c1-4-6-22-7-5-15(27)11-16(22)19-14(12-22)10-17(20(23)21(19)24)29-13-18(28)25-8-9-26(2)3/h10-11H,4-9,12-13H2,1-3H3,(H,25,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |