Molecule ID: mol6793

SMILES: CCCCCn1nc(C)cc1N

InChI: InChI=1S/C9H17N3/c1-3-4-5-6-12-9(10)7-8(2)11-12/h7H,3-6,10H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization