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

LQW

Summary
Name:~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
Formula:C14 H12 Cl N O Se
Formal charge:0
Formula weight:324.664 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H12ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18/h1-8,18H,9H2,(H,16,17)
InChIKeyInChI1.03ZZXRGWYKGIZVNH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
SMILESCACTVS3.385Clc1ccc(CNC(=O)c2ccccc2[SeH])cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]

223166

PDB entries from 2024-07-31

PDB statisticsPDBj update infoContact PDBjnumon