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AK-968/15361963 is available in 28 mg

Compound details
MDL #:		MFCD02051594
Formula:		C16 H18 N2 O5
Weight:		318.33
Salt Data:		oxalic acid
Chiral info:		Not available
Name:		N-(3,4-dimethoxybenzyl)-2-methoxy-5-nitroaniline
SMILES:		COc2ccc(cc2(NCc1ccc(OC)c(c1)OC))[N+](=O)[O-]
InChI^TM:		InChI=1S/C16H18N2O5/c1-21-14-7-5-12(18(19)20)9-13(14)17-10-11-4-6-15(22-2)16(8-11)23-3/h4-9,17H,10H2,1-3H3
InChIKey^TM:		OCRKKINICMHYLT-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2850 mg/Kg
Chronic LOAEL:		5.65 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.49

Chemical properties calculations
LogP:	3.15	H-acceptors: 1
LogS:	-4.21	H-donors: 1
tPSA:	82.86 Å²	Rotatable bonds: 7

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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.