Molecule ID: mol2749

SMILES: CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(/C(CC)=N/OCC)C(=O)C2)c1C

InChI: InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,24H,7-10,12-13H2,1-6H3/b25-18+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.34 Caine 0 » -1
4.36 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization