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AG-690/33086042 is available in 4443 mg

Compound details
MDL #:		MFCD00394339
Formula:		C15 H12 N2 O6
Weight:		316.27
Chiral info:		Not available
Name:		2-nitro-6-[(2-methoxyanilino)carbonyl]benzoic acid
SMILES:		COc2ccccc2(NC(=O)c1cccc(c1(C(O)=O))[N+](=O)[O-])
InChI^TM:		InChI=1S/C15H12N2O6/c1-23-12-8-3-2-6-10(12)16-14(18)9-5-4-7-11(17(21)22)13(9)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKey^TM:		FIKRTEMTXXBXTN-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2850 mg/Kg
Chronic LOAEL:		179 mg/Kg

Chemical properties calculations
LogP:	0.82	H-acceptors: 4
LogS:	-2.59	H-donors: 2
tPSA:	118.77 Å²	Rotatable bonds: 6

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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.