Molecule ID: mol16248

SMILES: CC(C)=CCOC[n+]1ccn(C)c1/C=N/O

InChI: InChI=1S/C11H17N3O2/c1-10(2)4-7-16-9-14-6-5-13(3)11(14)8-12-15/h4-6,8H,7,9H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization