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The molecular formula is C19H16BrNO3.
The molecular weight is 386.2 g/mol.
The IUPAC name is 6-bromo-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxylic acid.
The InChI is InChI=1S/C19H16BrNO3/c1-11(2)24-14-5-3-4-12(8-14)18-10-16(19(22)23)15-9-13(20)6-7-17(15)21-18/h3-11H,1-2H3,(H,22,23).
The InChIKey is YVECGKPYFNVLAC-UHFFFAOYSA-N.
The canonical SMILES is CC(C)OC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The XLogP3-AA value is 4.8.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor count.
It has 4 rotatable bond count.
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