Molecule ID: mol21470

SMILES: CCC(C#Cc1ccccc1)OC[n+]1ccn(C)c1/C=N/O

InChI: InChI=1S/C17H19N3O2/c1-3-16(10-9-15-7-5-4-6-8-15)22-14-20-12-11-19(2)17(20)13-18-21/h4-8,11-13,16H,3,14H2,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization