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8NE

Summary
Name:[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
Formula:C8 H8 F3 N2
Formal charge:1
Formula weight:189.158 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1
InChIKeyInChI1.03XFLGYXVBXUAGQV-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385NC(=[NH2+])c1ccc(cc1)C(F)(F)F
SMILESCACTVS3.385NC(=[NH2+])c1ccc(cc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1C(=[NH2+])N)C(F)(F)F
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1C(=[NH2+])N)C(F)(F)F

223166

PDB entries from 2024-07-31

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