Molecule ID: mol31645

SMILES: CCCCOC(=O)/C(C[n+]1cccc2ccccc21)=N\O

InChI: InChI=1S/C16H18N2O3/c1-2-3-11-21-16(19)14(17-20)12-18-10-6-8-13-7-4-5-9-15(13)18/h4-10H,2-3,11-12H2,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.98 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization