Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2MI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
2 InChIKey InChI 1.03 BHNHHSOHWZKFOX-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 c1cccc2c1cc(n2)C
4 SMILES CACTVS 3.341 Cc1[nH]c2ccccc2c1
5 SMILES OpenEye OEToolkits 1.5.0 Cc1cc2ccccc2[nH]1
6 Canonical SMILES CACTVS 3.341 Cc1[nH]c2ccccc2c1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2ccccc2[nH]1