LVF

2-(5-chloranyl-1H-indol-3-yl)ethanenitrile

Created:	2022-07-14
Last modified:	2023-03-29

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1 entries where LVF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	10

2D diagram of LVF

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Chemical Component Summary
Name	2-(5-chloranyl-1H-indol-3-yl)ethanenitrile
Systematic Name (OpenEye OEToolkits)	2-(5-chloranyl-1~{H}-indol-3-yl)ethanenitrile
Formula	C₁₀ H₇ Cl N₂
Molecular Weight	190.629
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1ccc2[nH]cc(CC#N)c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)c(c[nH]2)CC#N
Canonical SMILES	CACTVS	3.385	Clc1ccc2[nH]cc(CC#N)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)c(c[nH]2)CC#N
InChI	InChI	1.06	InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
InChIKey	InChI	1.06	UHFZUNGNGGEESB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12324169

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.