Molecule ID: mol12770

SMILES: N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N

InChI: InChI=1S/C10H20N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h7-10H,1-6,11-12H2/t7-,8-,9+,10+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.68 QSARToolbox 2 » 1
6.68 Datawarrior 2 » 1
10.08 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization