Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1FO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H12FNO5/c18-12-3-1-2-10(6-12)16(22)11-7-13(19-9-11)4-5-14(20)8-15(21)17(23)24/h1-9,19,21H,(H,23,24)/b5-4+,15-8-
2 InChIKey InChI 1.03 WQEAOCAOIXLGFY-OQLOTXMNSA-N
3 SMILES ACDLabs 12.01 O=C(c1cc(/C=C/C(=O)\C=C(/O)C(=O)O)nc1)c2cccc(F)c2
4 SMILES CACTVS 3.370 OC(=O)C(O)=CC(=O)C=Cc1[nH]cc(c1)C(=O)c2cccc(F)c2
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)C(/O)=C/C(=O)\C=C\c1[nH]cc(c1)C(=O)c2cccc(F)c2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)F)C(=O)c2cc([nH]c2)C=CC(=O)C=C(C(=O)O)O