Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1AN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
2 InChIKey InChI 1.03 FTZQXOJYPFINKJ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Fc1ccccc1N
4 SMILES CACTVS 3.341 Nc1ccccc1F
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)N)F
6 Canonical SMILES CACTVS 3.341 Nc1ccccc1F
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)N)F