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

QFT

Summary
Name:2-fluoranyl-5-nitro-phenol
Formula:C6 H4 F N O3
Formal charge:0
Formula weight:157.099 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-fluoranyl-5-nitro-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKeyInChI1.03WFRLFZAMCVAQLN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(ccc1F)[N](=O)=O
SMILESCACTVS3.385Oc1cc(ccc1F)[N](=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1N(=O)=O)O)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1N(=O)=O)O)F

226262

PDB entries from 2024-10-16

PDB statisticsPDBj update infoContact PDBjnumon