Molecule ID: mol18164

SMILES: CCN(CC)C(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2

InChI: InChI=1S/C23H27N3O2/c1-5-25(6-2)23(27)19-14-26-16(4)15(3)24-22(26)21-18(19)12-13-20(28-21)17-10-8-7-9-11-17/h7-11,14,20H,5-6,12-13H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization