Molecule ID: mol19991

SMILES: O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCC2)CC1

InChI: InChI=1S/C19H26N2O/c22-19(18-14-17(18)15-6-2-1-3-7-15)21-12-8-16(9-13-21)20-10-4-5-11-20/h1-3,6-7,16-18H,4-5,8-14H2/t17-,18+/m1/s1

Experimental Macro pKa Values

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