Molecule ID: mol18144

SMILES: CCc1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CCC(c1ccccc1)O3

InChI: InChI=1S/C22H25N3O2/c1-5-18-14(2)23-21-20-16(17(13-25(18)21)22(26)24(3)4)11-12-19(27-20)15-9-7-6-8-10-15/h6-10,13,19H,5,11-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization