Molecule ID: mol18948

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

InChI: InChI=1S/C12H16N6O3/c1-15-3-5-17(11(15)7-13-19)9-21-10-18-6-4-16(2)12(18)8-14-20/h3-8H,9-10H2,1-2H3/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization