Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PQH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
2 InChIKey InChI 1.03 FZYQYTJVKWEWQJ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1[nH]c(cc1C(O)=O)C(F)(F)F
4 SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc([nH]1)C(F)(F)F)C(=O)O
5 Canonical SMILES CACTVS 3.385 Cc1[nH]c(cc1C(O)=O)C(F)(F)F
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc([nH]1)C(F)(F)F)C(=O)O