Molecule ID: mol1507

SMILES: CNC[C@H](O)c1ccc(C2CCCCC2)cc1

InChI: InChI=1S/C15H23NO/c1-16-11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12,15-17H,2-6,11H2,1H3/t15-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.01 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization