Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2O6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
2 InChIKey InChI 1.03 LSKOZQNIAMSAIB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 FC(F)(F)c2cc1c(onc1N)cc2
4 SMILES CACTVS 3.385 Nc1noc2ccc(cc12)C(F)(F)F
5 SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(F)(F)F)c(no2)N
6 Canonical SMILES CACTVS 3.385 Nc1noc2ccc(cc12)C(F)(F)F
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1C(F)(F)F)c(no2)N