Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NXE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12)
2 InChIKey InChI 1.03 KKHMJANPVRFCAR-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC(=O)Nc1onc(c1)C(F)(F)F
4 SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cc(no1)C(F)(F)F
5 Canonical SMILES CACTVS 3.385 CC(=O)Nc1onc(c1)C(F)(F)F
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cc(no1)C(F)(F)F