Molecule ID: mol7903

SMILES: CCC1NC=Nc2ccccc21

InChI: InChI=1S/C10H12N2/c1-2-9-8-5-3-4-6-10(8)12-7-11-9/h3-7,9H,2H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization