6SO

2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine

Created:	2016-06-15
Last modified:	2017-08-09

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4 entries where 6SO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

2D diagram of 6SO

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Chemical Component Summary
Name	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
Systematic Name (OpenEye OEToolkits)	2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
Formula	C₁₀ H₁₁ Cl N₂
Molecular Weight	194.661
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCc1c[nH]c2ccc(Cl)cc12
SMILES	OpenEye OEToolkits	2.0.5	c1cc2c(cc1Cl)c(c[nH]2)CCN
Canonical SMILES	CACTVS	3.385	NCCc1c[nH]c2ccc(Cl)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc2c(cc1Cl)c(c[nH]2)CCN
InChI	InChI	1.03	InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChIKey	InChI	1.03	FVQKQPVVCKOWLM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1288716
PubChem	77379
ChEMBL	CHEMBL1288716
CCDC/CSD	HAMRIA

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