Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

EY6

Summary
Name:5-(2-fluoranylethoxy)-1H-indole
Formula:C10 H10 F N O
Formal charge:0
Formula weight:179.191 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(2-fluoranylethoxy)-1~{H}-indole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H10FNO/c11-4-6-13-9-1-2-10-8(7-9)3-5-12-10/h1-3,5,7,12H,4,6H2
InChIKeyInChI1.03VRTAUTLAOMSHHQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FCCOc1ccc2[nH]ccc2c1
SMILESCACTVS3.385FCCOc1ccc2[nH]ccc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc[nH]2)cc1OCCF
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc[nH]2)cc1OCCF

226707

數據於2024-10-30公開中

PDB statisticsPDBj update infoContact PDBjnumon