Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 34A    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
2 InChIKey InChI 1.03 DOLQYFPDPKPQSS-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 Nc1cc(c(cc1)C)C
4 SMILES CACTVS 3.341 Cc1ccc(N)cc1C
5 SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(cc1C)N
6 Canonical SMILES CACTVS 3.341 Cc1ccc(N)cc1C
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccc(cc1C)N