Molecule ID: mol26719

SMILES: C[n+]1c2cc(Cl)ccc2cc2c3ccccc3[nH]c21

InChI: InChI=1S/C16H11ClN2/c1-19-15-9-11(17)7-6-10(15)8-13-12-4-2-3-5-14(12)18-16(13)19/h2-9H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization