Molecule ID: mol3810

SMILES: C[N+](C)(C)Cc1ccncc1

InChI: InChI=1S/C9H15N2/c1-11(2,3)8-9-4-6-10-7-5-9/h4-7H,8H2,1-3H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization