FIC

5-fluoroindole-2-carboxylic acid

Created:	2008-07-25
Last modified:	2011-06-04

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3 entries where FIC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of FIC

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Chemical Component Summary
Name	5-fluoroindole-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5-fluoro-1H-indole-2-carboxylic acid
Formula	C₉ H₆ F N O₂
Molecular Weight	179.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1cc2c(cc1)nc(c2)C(=O)O
SMILES	CACTVS	3.341	OC(=O)c1[nH]c2ccc(F)cc2c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1F)cc([nH]2)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1[nH]c2ccc(F)cc2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1F)cc([nH]2)C(=O)O
InChI	InChI	1.03	InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey	InChI	1.03	WTXBRZCVLDTWLP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1820
ChEMBL	CHEMBL23507
ChEBI	CHEBI:111276

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.