Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : AN3    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
2 InChIKey InChI 1.03 MWPLVEDNUUSJAV-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 c3ccc2cc1ccccc1cc2c3
4 SMILES CACTVS 3.341 c1ccc2cc3ccccc3cc2c1
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3ccccc3cc2c1
6 Canonical SMILES CACTVS 3.341 c1ccc2cc3ccccc3cc2c1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3ccccc3cc2c1