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GO1

Summary
Name:3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid
Formula:C11 H7 Cl2 N O4
Formal charge:0
Formula weight:288.084 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.7.03-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)Cc2c1cc(Cl)cc(Cl)c1nc2C(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O
SMILESCACTVS3.370OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl
SMILESOpenEye OEToolkits1.7.0c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl
InChIInChI1.03InChI=1S/C11H7Cl2NO4/c12-4-1-5-6(3-8(15)16)10(11(17)18)14-9(5)7(13)2-4/h1-2,14H,3H2,(H,15,16)(H,17,18)
InChIKeyInChI1.03UDTYSEWCICAFSB-UHFFFAOYSA-N

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PDB entries from 2024-07-24

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