Molecule ID: mol38421

SMILES: CN1CCN(C2=NC(C)(C)N([O])C2(C)C)/C1=N/C1CCCCC1

InChI: InChI=1S/C17H30N5O/c1-16(2)14(19-17(3,4)22(16)23)21-12-11-20(5)15(21)18-13-9-7-6-8-10-13/h13H,6-12H2,1-5H3/b18-15+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization