NQO

2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide

Created:	2023-08-16
Last modified:	2023-11-08

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1 entries where NQO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of NQO

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Chemical Component Summary
Name	2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)	2-(3-chlorophenyl)-~{N}-(4-methylpyridazin-3-yl)ethanamide
Formula	C₁₃ H₁₂ Cl N₃ O
Molecular Weight	261.707
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1
SMILES	CACTVS	3.385	Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl
Canonical SMILES	CACTVS	3.385	Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnnc1NC(=O)Cc2cccc(c2)Cl
InChI	InChI	1.06	InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)
InChIKey	InChI	1.06	ZNGNXXLXHHJCCJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154875995

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