Molecule ID: mol17854

SMILES: O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)cc1

InChI: InChI=1S/C21H29N7O2/c29-28(30)18-13-11-17(12-14-18)24-21-26-19(22-15-7-3-1-4-8-15)25-20(27-21)23-16-9-5-2-6-10-16/h11-16H,1-10H2,(H3,22,23,24,25,26,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.58 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization