Molecule ID: mol19995

SMILES: O=C(NCCCNC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1

InChI: InChI=1S/C19H28N2O/c22-19(18-14-17(18)15-8-3-1-4-9-15)21-13-7-12-20-16-10-5-2-6-11-16/h1,3-4,8-9,16-18,20H,2,5-7,10-14H2,(H,21,22)/t17-,18+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.10 Baltruschat ChEMBL 1 » 0
10.40 Baltruschat ChEMBL 1 » 0
10.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization