Molecule ID: mol24612

SMILES: Cc1cc(C2=CC3CCC2N3C)on1

InChI: InChI=1S/C11H14N2O/c1-7-5-11(14-12-7)9-6-8-3-4-10(9)13(8)2/h5-6,8,10H,3-4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization