Molecule ID: mol25347

SMILES: Cc1c(C)n(C)[n+](C)c1O

InChI: InChI=1S/C7H12N2O/c1-5-6(2)8(3)9(4)7(5)10/h1-4H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization