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SummaryGeometryRelated PDB entries

Z13

Summary
Name:(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Formula:C16 H11 F6 N
Formal charge:0
Formula weight:331.256 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
OpenEye OEToolkits1.7.61-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanimine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c2ccc(/C=N/Cc1ccc(cc1)C(F)(F)F)cc2
InChIInChI1.03InChI=1S/C16H11F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-9H,10H2
InChIKeyInChI1.03ZQHUZWLWETYCDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1
SMILESCACTVS3.385FC(F)(F)c1ccc(CN=Cc2ccc(cc2)C(F)(F)F)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F

223532

PDB entries from 2024-08-07

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