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8PC

Summary
Name:2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL
Formula:C18 H13 Cl2 N O2
Formal charge:0
Formula weight:346.207 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
OpenEye OEToolkits1.5.02-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3
SMILES_CANONICALCACTVS3.341Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl
SMILESCACTVS3.341Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChIInChI1.03InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
InChIKeyInChI1.03AOVDSWPGWPRTSR-UHFFFAOYSA-N

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PDB entries from 2024-07-10

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