Molecule ID: mol6251

SMILES: Cc1cc(C)c(CN(CCCl)CCCl)cc1C

InChI: InChI=1S/C14H21Cl2N/c1-11-8-13(3)14(9-12(11)2)10-17(6-4-15)7-5-16/h8-9H,4-7,10H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization