Molecule ID: mol3287

SMILES: C[C@@H]1CCCC[C@H]1N

InChI: InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3/t6-,7-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization