Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 15O    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
2 InChIKey InChI 1.03 JTPNRXUCIXHOKM-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Clc2cccc1ccccc12
4 SMILES CACTVS 3.370 Clc1cccc2ccccc12
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)cccc2Cl
6 Canonical SMILES CACTVS 3.370 Clc1cccc2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)cccc2Cl