Molecule ID: mol19180

SMILES: CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3CC#N)CC1

InChI: InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization