2LZ

(5-fluoro-1H-indol-3-yl)acetic acid

Created:	2021-06-30
Last modified:	2022-01-12

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1 entries where 2LZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	10

2D diagram of 2LZ

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Chemical Component Summary
Name	(5-fluoro-1H-indol-3-yl)acetic acid
Systematic Name (OpenEye OEToolkits)	2-(5-fluoranyl-1~{H}-indol-3-yl)ethanoic acid
Formula	C₁₀ H₈ F N O₂
Molecular Weight	193.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)Cc1c[NH]c2ccc(F)cc21
SMILES	CACTVS	3.385	OC(=O)Cc1c[nH]c2ccc(F)cc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)c(c[nH]2)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1c[nH]c2ccc(F)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1F)c(c[nH]2)CC(=O)O
InChI	InChI	1.03	InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
InChIKey	InChI	1.03	GWLLOJBOPVNWNF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	96750
ChEMBL	CHEMBL82870
CCDC/CSD	TEHMEY01, TEHMEY

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