Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1Y6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
2 InChIKey InChI 1.03 BBYDXOIZLAWGSL-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Fc1ccc(C(=O)O)cc1
4 SMILES CACTVS 3.385 OC(=O)c1ccc(F)cc1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)O)F
6 Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(F)cc1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=O)O)F