2HU

5-nitro-1H-indole

Created:	2013-10-22
Last modified:	2013-11-06

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1 entries where 2HU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	10

2D diagram of 2HU

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Chemical Component Summary
Name	5-nitro-1H-indole
Systematic Name (OpenEye OEToolkits)	5-nitro-1H-indole
Formula	C₈ H₆ N₂ O₂
Molecular Weight	162.145
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-][N+](=O)c1cc2c(cc1)ncc2
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc2[nH]ccc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc[nH]2)cc1[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc2[nH]ccc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc[nH]2)cc1[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
InChIKey	InChI	1.03	OZFPSOBLQZPIAV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22523
ChEMBL	CHEMBL164651
CCDC/CSD	TUPBOY

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