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5G5

Summary
Name:4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
Formula:C19 H14 Cl N O2
Formal charge:0
Formula weight:323.773 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
OpenEye OEToolkits1.9.24-[N-(2-chlorophenyl)-C-(4-hydroxyphenyl)carbonimidoyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(cccc1)\N=C(\c2ccc(O)cc2)c3ccc(cc3)O
InChIInChI1.03InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H
InChIKeyInChI1.03KCIOZMOTULBIRT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3
SMILESCACTVS3.385Oc1ccc(cc1)C(=Nc2ccccc2Cl)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl
SMILESOpenEye OEToolkits1.9.2c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl

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PDB entries from 2024-11-06

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