6ZX

(E)-3-(4-chlorophenyl)but-2-enoic acid

Created:	2015-10-28
Last modified:	2016-03-02

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1 entries where 6ZX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of 6ZX

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Chemical Component Summary
Name	(E)-3-(4-chlorophenyl)but-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(E)-3-(4-chlorophenyl)but-2-enoic acid
Formula	C₁₀ H₉ Cl O₂
Molecular Weight	196.63
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=CC(O)=O)c1ccc(Cl)cc1
SMILES	OpenEye OEToolkits	1.7.6	CC(=CC(=O)O)c1ccc(cc1)Cl
Canonical SMILES	CACTVS	3.385	CC(=C/C(O)=O)\c1ccc(Cl)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C(=C\C(=O)O)/c1ccc(cc1)Cl
InChI	InChI	1.03	InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+
InChIKey	InChI	1.03	SINDTVUVNPIJMY-VOTSOKGWSA-N

Related Resource References

Resource Name	Reference
PubChem	12934450

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.