Molecule ID: mol25446

SMILES: CC1(C)[C@@H]2CC[C@@]1(C)c1n[nH]cc12

InChI: InChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6,8H,4-5H2,1-3H3,(H,12,13)/t8-,11+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization