Molecule ID: mol19432

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC(c1ccccc1)C3

InChI: InChI=1S/C22H25N3O/c1-14-15(2)25-13-20(22(26)24(3)4)18-11-10-17(12-19(18)21(25)23-14)16-8-6-5-7-9-16/h5-9,13,17H,10-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization