Molecule ID: mol36508

SMILES: CN1CCN2CCc3cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c3O)CCN(CC1)CCN(C)CC2

InChI: InChI=1S/C26H37N7O3/c1-29-11-15-31-9-7-21-19-24(28-27-23-3-5-25(6-4-23)33(35)36)20-22(26(21)34)8-10-32(16-12-29)18-14-30(2)13-17-31/h3-6,19-20,34H,7-18H2,1-2H3/b28-27+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization