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SOJ

Summary
Name:~{N}4-phenylbenzene-1,4-diamine
Formula:C12 H12 N2
Formal charge:0
Formula weight:184.237 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}4-phenylbenzene-1,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
InChIKeyInChI1.03ATGUVEKSASEFFO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(Nc2ccccc2)cc1
SMILESCACTVS3.385Nc1ccc(Nc2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)Nc2ccc(cc2)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Nc2ccc(cc2)N

223532

PDB entries from 2024-08-07

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