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

ONR

Summary
Name:4-chloro-2-isoxazol-5-yl-phenol
Formula:C9 H6 Cl N O2
Formal charge:0
Formula weight:195.602 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.64-chloranyl-2-(1,2-oxazol-5-yl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChIKeyInChI1.03AAJXJLYUWKMQNO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Cl)cc1c2oncc2
SMILESCACTVS3.385Oc1ccc(Cl)cc1c2oncc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)c2ccno2)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1Cl)c2ccno2)O

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon