Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PHN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
2 InChIKey InChI 1.03 DGEZNRSVGBDHLK-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 n1c3c(ccc1)ccc2cccnc23
4 SMILES CACTVS 3.341 c1cnc2c(c1)ccc3cccnc23
5 SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3cccnc3c2nc1
6 Canonical SMILES CACTVS 3.341 c1cnc2c(c1)ccc3cccnc23
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2ccc3cccnc3c2nc1