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SummaryGeometryRelated PDB entries

YME

Summary
Name:(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
Formula:C16 H10 Cl N O3
Formal charge:0
Formula weight:299.709 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
OpenEye OEToolkits2.0.78-chloranyl-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O
InChIInChI1.06InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
InChIKeyInChI1.06KVFZPSDQSZKXFB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(nc2c(Cl)cccc12)c3ccccc3O
SMILESCACTVS3.385OC(=O)c1cc(nc2c(Cl)cccc12)c3ccccc3O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O)O

225946

PDB entries from 2024-10-09

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