Molecule ID: mol1663

SMILES: Nc1ccc(C2CC2)cc1

InChI: InChI=1S/C9H11N/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2,10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.90 IUPAC digitized pKa 1 » 0
4.90 Hunt 1 » 0
4.90 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization