Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : 0FN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
2	InChIKey	InChI	1.03	GKEKUQYTCADDSQ-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C2c1ccccc1C(=O)C2C#N
4	SMILES	CACTVS	3.370	O=C1C(C#N)C(=O)c2ccccc12
5	SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C(C2=O)C#N
6	Canonical SMILES	CACTVS	3.370	O=C1C(C#N)C(=O)c2ccccc12
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C(C2=O)C#N