Molecule ID: mol18960

SMILES: Cn1cc[n+](CCC[n+]2ccn(C)c2/C=N/O)c1/C=N/O

InChI: InChI=1S/C13H18N6O2/c1-16-6-8-18(12(16)10-14-20)4-3-5-19-9-7-17(2)13(19)11-15-21/h6-11H,3-5H2,1-2H3/p+2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.13 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization