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AQ-776/42801167 is available in 768 mg

Compound details
MDL #:		MFCD05863369
Formula:		C14 H12 N3 O2
Weight:		254.27
Salt Data:		I-
Chiral info:		Not available
Name:		1-methyl-2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium
SMILES:		Cn1c(c[n+]2ccccc12)c3cccc(c3)[N+](=O)[O-]
InChI^TM:		InChI=1S/C14H12N3O2/c1-15-13(10-16-8-3-2-7-14(15)16)11-5-4-6-12(9-11)17(18)19/h2-10H,1H3/q+1
InChIKey^TM:		BWZXKRKZZLFXRS-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3.57 mg/Kg
Chronic LOAEL:		44.8 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	3.89	H-acceptors: 1
LogS:	-4.77
tPSA:	52.17 Å²	Rotatable bonds: 2

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.