HWH

~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide

Created:	2019-01-01
Last modified:	2020-03-03

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7 entries where HWH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of HWH

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Chemical Component Summary
Name	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Formula	C₁₂ H₁₃ F N₂ O
Molecular Weight	220.243
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)NCCc1c[nH]c2ccc(F)cc12
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1c[nH]c2c1cc(cc2)F
Canonical SMILES	CACTVS	3.385	CC(=O)NCCc1c[nH]c2ccc(F)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1c[nH]c2c1cc(cc2)F
InChI	InChI	1.03	InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKey	InChI	1.03	UDLASALUJLTGJV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	699127
ChEMBL	CHEMBL284521

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