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

9H2

Summary
Name:6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
Formula:C11 H9 I2 N O2
Formal charge:0
Formula weight:441.004 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2
InChIKeyInChI1.03AGXLMIQMLKHIFZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCc1cc(I)c(n2cccc2)c(I)c1O
SMILESCACTVS3.385OCc1cc(I)c(n2cccc2)c(I)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccn(c1)c2c(cc(c(c2I)O)CO)I
SMILESOpenEye OEToolkits2.0.6c1ccn(c1)c2c(cc(c(c2I)O)CO)I

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon