Molecule ID: mol6690

SMILES: Cn1cnc([N+](=O)[O-])c1N1CCCCC1

InChI: InChI=1S/C9H14N4O2/c1-11-7-10-8(13(14)15)9(11)12-5-3-2-4-6-12/h7H,2-6H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.68 AttenGpKa training set 1 » 0
0.70 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization