Molecule ID: mol7198

SMILES: Cn1ccc(C(C)(C)C)nc1=O

InChI: InChI=1S/C9H14N2O/c1-9(2,3)7-5-6-11(4)8(12)10-7/h5-6H,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.90 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization