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RIQ

Summary
Name:1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone
Formula:C10 H9 Cl2 N O
Formal charge:0
Formula weight:230.091 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.01-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3
InChIKeyInChI1.06FSLARAPYXMNEFP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCc2c(Cl)c(Cl)ccc12
SMILESCACTVS3.385CC(=O)N1CCc2c(Cl)c(Cl)ccc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CC(=O)N1CCc2c1ccc(c2Cl)Cl
SMILESOpenEye OEToolkits3.1.0.0CC(=O)N1CCc2c1ccc(c2Cl)Cl

221051

PDB entries from 2024-06-12

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