LRW

(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid

Created:	2019-09-03
Last modified:	2020-04-22

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1 entries where LRW 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 LRW

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Chemical Component Summary
Name	(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Formula	C₁₀ H₇ F₃ O₂
Molecular Weight	216.157
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C=Cc1cccc(c1)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(F)(F)F)C=CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)/C=C/c1cccc(c1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O
InChI	InChI	1.03	InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChIKey	InChI	1.03	KSBWHDDGWSYETA-SNAWJCMRSA-N

Related Resource References

Resource Name	Reference
PubChem	719451
ChEMBL	CHEMBL2387748
ChEBI	CHEBI:60704

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.