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AE-562/43287103 is available in 3120 mg

Compound details
MDL #:		MFCD06208852
Formula:		C9 H8 Br N O3
Weight:		258.07
Chiral info:		Not available
Name:		4-(acetylamino)-3-bromobenzoic acid
SMILES:		CC(=O)Nc1ccc(cc1Br)C(=O)O
InChI^TM:		InChI=1S/C9H8BrNO3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey^TM:		YCRQMCDNYOYGCJ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		386 mg/Kg
Chronic LOAEL:		594 mg/Kg
AMES Mutagenicity:		0.02

Chemical properties calculations
LogP:	1.31	H-acceptors: 4
LogS:	-2.2	H-donors: 2
tPSA:	66.4 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.