Molecule ID: mol20698

SMILES: FC(F)(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(OCc2ccccc2)CC1

InChI: InChI=1S/C25H27F2N5O/c26-25(27,16-31-10-8-22(9-11-31)33-15-19-4-2-1-3-5-19)13-20-14-28-24-7-6-21(12-23(20)24)32-17-29-30-18-32/h1-7,12,14,17-18,22,28H,8-11,13,15-16H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.90 OCHEM 1 » 0
5.90 Baltruschat ChEMBL 1 » 0
5.90 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization