Molecule ID: mol19035

SMILES: Cc1cccc(C)c1CNc1nc(-n2ccccc2=O)cc2c(C)c(C)n(CCO)c12

InChI: InChI=1S/C25H28N4O2/c1-16-8-7-9-17(2)21(16)15-26-25-24-20(18(3)19(4)28(24)12-13-30)14-22(27-25)29-11-6-5-10-23(29)31/h5-11,14,30H,12-13,15H2,1-4H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization