Molecule ID: mol21456

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

InChI: InChI=1S/C14H21N3O2/c1-11(2)8-13(12(3)4)19-10-17-7-6-16(5)14(17)9-15-18/h6-7,9,13H,1,3,8,10H2,2,4-5H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization