Molecule ID: mol37067

SMILES: COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-]

InChI: InChI=1S/C16H22N4O4/c1-19(2)9-5-7-17-11-6-8-18-15-12(23-3)10-13(24-4)16(14(11)15)20(21)22/h6,8,10H,5,7,9H2,1-4H3,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.25 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization