Molecule ID: mol20437

SMILES: NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12

InChI: InChI=1S/C12H13ClN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization