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AK-918/40197724 is available in 26 mg

Compound details
MDL #:		MFCD00377049
Formula:		C18 H18 N2 O5
Weight:		342.35
Chiral info:		Not available
Name:		isobutyl 4-({3-nitrobenzoyl}amino)benzoate
SMILES:		CC(C)COC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)[N+](=O)[O-]
InChI^TM:		InChI=1S/C18H18N2O5/c1-12(2)11-25-18(22)13-6-8-15(9-7-13)19-17(21)14-4-3-5-16(10-14)20(23)24/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKey^TM:		BBDBLQDNXVCSSD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		8780 mg/Kg
Chronic LOAEL:		249 mg/Kg
AMES Mutagenicity:		0.15

Chemical properties calculations
LogP:	4.15	H-acceptors: 4
LogS:	-5.63	H-donors: 1
tPSA:	98.54 Å²	Rotatable bonds: 8

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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.