Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F2M    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+
2 InChIKey InChI 1.03 DBDADMSUVDNQKI-ZZXKWVIFSA-N
3 SMILES CACTVS 3.385 CC=CN(C)Cc1occc1
4 SMILES OpenEye OEToolkits 2.0.6 CC=CN(C)Cc1ccco1
5 Canonical SMILES CACTVS 3.385 C\C=C\N(C)Cc1occc1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 C/C=C/N(C)Cc1ccco1