Molecule ID: mol1637

SMILES: C[C@@H]1C[C@H](Cl)[C@@H]2CCCC[C@@H]2N1

InChI: InChI=1S/C10H18ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h7-10,12H,2-6H2,1H3/t7-,8+,9+,10+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization