Molecule ID: mol17432

SMILES: O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc(OCCN3CCCCC3)cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C33H32N4O7/c38-32-27(20-24-4-10-29(11-5-24)36(40)41)22-35(23-28(32)21-25-6-12-30(13-7-25)37(42)43)33(39)26-8-14-31(15-9-26)44-19-18-34-16-2-1-3-17-34/h4-15,20-21H,1-3,16-19,22-23H2/b27-20+,28-21+

Experimental Macro pKa Values

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