Molecule ID: mol18686

SMILES: O=C(O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C22H18N2O2/c25-21(26)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22/h1-10,12-13H,11,14H2,(H,23,24)(H,25,26)

Experimental Macro pKa Values

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