Molecule ID: mol19703

SMILES: C=CCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc([N+](=O)[O-])c1O

InChI: InChI=1S/C20H22N4O3/c1-5-7-15-9-14(10-16(19(15)25)24(26)27)11-23-17(6-2)22-18-12(3)8-13(4)21-20(18)23/h5,8-10,25H,1,6-7,11H2,2-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization