Molecule ID: mol17194

SMILES: Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC(O)Cn1c([N+](=O)[O-])cnc1C

InChI: InChI=1S/C18H18N4O6/c1-10-3-4-15-13(5-10)17(24)14(18(25)26)9-20(15)7-12(23)8-21-11(2)19-6-16(21)22(27)28/h3-6,9,12,23H,7-8H2,1-2H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization