Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 8GK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
2 InChIKey InChI 1.03 JRZGPWOEHDOVMC-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 ONC(=O)c1cccc2ccccc12
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2C(=O)NO
5 Canonical SMILES CACTVS 3.385 ONC(=O)c1cccc2ccccc12
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cccc2C(=O)NO