11S

5-chloro-1H-indole

Created:	2009-01-20
Last modified:	2011-06-04

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1 entries where 11S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of 11S

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Chemical Component Summary
Name	5-chloro-1H-indole
Systematic Name (OpenEye OEToolkits)	5-chloro-1H-indole
Formula	C₈ H₆ Cl N
Molecular Weight	151.593
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc2c(cc1)ncc2
SMILES	CACTVS	3.341	Clc1ccc2[nH]ccc2c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc[nH]2)cc1Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc2[nH]ccc2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc[nH]2)cc1Cl
InChI	InChI	1.03	InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey	InChI	1.03	MYTGFBZJLDLWQG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	87110
ChEMBL	CHEMBL555013

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