Molecule ID: mol19424

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CCC(c1ccccc1)C3

InChI: InChI=1S/C22H25N3O2/c1-14-20(13-26)25-12-19(22(27)24(2)3)17-10-9-16(11-18(17)21(25)23-14)15-7-5-4-6-8-15/h4-8,12,16,26H,9-11,13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization