Molecule ID: mol21474

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

InChI: InChI=1S/C12H17N3O2/c1-3-4-5-6-7-14-8-9-15(11-17-2)12(14)10-13-16/h1,8-10H,4-7,11H2,2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization