Molecule ID: mol2717

SMILES: CCc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1C1C(=O)CC2(CCOCC2)CC1=O

InChI: InChI=1S/C26H25ClN2O4/c1-2-16-3-5-18(33-24-15-28-21-11-17(27)4-6-20(21)29-24)12-19(16)25-22(30)13-26(14-23(25)31)7-9-32-10-8-26/h3-6,11-12,15,25H,2,7-10,13-14H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization