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 : UMK

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
2	InChIKey	InChI	1.03	QNLXJYQUWCNYBH-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	Brc1ccc(cc1)C2(O)CCNCC2
4	SMILES	CACTVS	3.385	OC1(CCNCC1)c2ccc(Br)cc2
5	SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C2(CCNCC2)O)Br
6	Canonical SMILES	CACTVS	3.385	OC1(CCNCC1)c2ccc(Br)cc2
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C2(CCNCC2)O)Br