PFN

FENOPROFEN

Created:	2010-02-26
Last modified:	2020-06-05

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2 entries where PFN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	12

2D diagram of PFN

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Chemical Component Summary
Name	FENOPROFEN
Synonyms	(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-(3-phenoxyphenyl)propanoic acid
Formula	C₁₅ H₁₄ O₃
Molecular Weight	242.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(c2cc(Oc1ccccc1)ccc2)C
SMILES	CACTVS	3.352	C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1
SMILES	OpenEye OEToolkits	1.6.1	CC(c1cccc(c1)Oc2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.352	C[C@@H](C(O)=O)c1cccc(Oc2ccccc2)c1
Canonical SMILES	OpenEye OEToolkits	1.6.1	C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
InChIKey	InChI	1.03	RDJGLLICXDHJDY-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL249244
PubChem	41097863
ChEMBL	CHEMBL249244

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