Molecule ID: mol18729

SMILES: CCC12CCC(=O)C=C1c1c(cc(OCC(=O)OCc3cccnc3)c(Cl)c1Cl)C2

InChI: InChI=1S/C23H21Cl2NO4/c1-2-23-6-5-16(27)9-17(23)20-15(10-23)8-18(21(24)22(20)25)29-13-19(28)30-12-14-4-3-7-26-11-14/h3-4,7-9,11H,2,5-6,10,12-13H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.32 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization