Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UQB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m0/s1
2 InChIKey InChI 1.03 LPKXWVNNGWDLMT-QMMMGPOBSA-N
3 SMILES CACTVS 3.385 NC[CH](O)c1ccc(F)cc1
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(CN)O)F
5 Canonical SMILES CACTVS 3.385 NC[C@H](O)c1ccc(F)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1[C@H](CN)O)F