Molecule ID: mol3792

SMILES: CNc1c(C)c(C)nc(C)c1C

InChI: InChI=1S/C10H16N2/c1-6-8(3)12-9(4)7(2)10(6)11-5/h1-5H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization