Molecule ID: mol5763

SMILES: CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)ccc2ccccc21

InChI: InChI=1S/C21H23N2/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3/h5-16H,4H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.63 IUPAC digitized pKa 2 » 1
2.63 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization