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AE-562/12222206 is available in 8193 mg

Compound details
MDL #:		MFCD01463400
Formula:		C14 H11 N O3
Weight:		241.24
Chiral info:		Not available
Name:		{3-nitro-4-methylphenyl}(phenyl)methanone
SMILES:		Cc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2
InChI^TM:		InChI=1S/C14H11NO3/c1-10-7-8-12(9-13(10)15(17)18)14(16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey^TM:		AIHPHIHMHMQFGD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2750 mg/Kg
Chronic LOAEL:		66.4 mg/Kg
AMES Mutagenicity:		0.05
Developmental Toxicity Potential:		0.07

Chemical properties calculations
LogP:	3.51	H-acceptors: 1
LogS:	-4.35
tPSA:	60.21 Å²	Rotatable bonds: 3

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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.