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SummaryGeometryRelated PDB entries

4B8

Summary
Name:2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
Formula:C14 H8 Cl2 N2 O3
Formal charge:0
Formula weight:323.131 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
OpenEye OEToolkits1.9.22,6-bis(chloranyl)-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3c(O)c(Cl)cc(c1nnc(o1)c2ccc(O)cc2)c3
InChIInChI1.03InChI=1S/C14H8Cl2N2O3/c15-10-5-8(6-11(16)12(10)20)14-18-17-13(21-14)7-1-3-9(19)4-2-7/h1-6,19-20H
InChIKeyInChI1.03ZFNJTKVOZGKOOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3
SMILESCACTVS3.385Oc1ccc(cc1)c2oc(nn2)c3cc(Cl)c(O)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O

223532

PDB entries from 2024-08-07

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