Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PFB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
2 InChIKey InChI 1.03 PGJYYCIOYBZTPU-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Fc1c(c(F)c(F)c(F)c1F)CO
4 SMILES CACTVS 3.341 OCc1c(F)c(F)c(F)c(F)c1F
5 SMILES OpenEye OEToolkits 1.5.0 C(c1c(c(c(c(c1F)F)F)F)F)O
6 Canonical SMILES CACTVS 3.341 OCc1c(F)c(F)c(F)c(F)c1F
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(c1c(c(c(c(c1F)F)F)F)F)O