Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2AF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
2 InChIKey InChI 1.03 CDAWCLOXVUBKRW-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Oc1ccccc1N
4 SMILES CACTVS 3.341 Nc1ccccc1O
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)N)O
6 Canonical SMILES CACTVS 3.341 Nc1ccccc1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)N)O