Molecule ID: mol2752

SMILES: CC/C(=N\OC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O

InChI: InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,17H,2,4-5,7-11H2,1H3/b6-3+,19-14+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization