Molecule ID: mol21491

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

InChI: InChI=1S/C10H13N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h4-6,8H,1,7,9H2,2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization