Molecule ID: mol30092

SMILES: COc1ccc(Cl)c(Nc2ncnc3cc(OCN4CCN(C)CC4)c(OC)c(O)c23)c1

InChI: InChI=1S/C22H26ClN5O4/c1-27-6-8-28(9-7-27)13-32-18-11-17-19(20(29)21(18)31-3)22(25-12-24-17)26-16-10-14(30-2)4-5-15(16)23/h4-5,10-12,29H,6-9,13H2,1-3H3,(H,24,25,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization