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AE-562/12222839 is available in 4424 mg

Compound details
MDL #:		MFCD01463985
Formula:		C14 H14 N4 O4
Weight:		302.29
Chiral info:		Not available
Name:		N~1~,N~2~-bis(3-nitrophenyl)-1,2-ethanediamine
SMILES:		O=[N+]([O-])c1cccc(c1)NCCNc2cccc(c2)[N+](=O)[O-]
InChI^TM:		InChI=1S/C14H14N4O4/c19-17(20)13-5-1-3-11(9-13)15-7-8-16-12-4-2-6-14(10-12)18(21)22/h1-6,9-10,15-16H,7-8H2
InChIKey^TM:		IZANSGUAGQZIFU-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1220 mg/Kg
Chronic LOAEL:		118 mg/Kg
AMES Mutagenicity:		0.99

Chemical properties calculations
LogP:	3.7	H-acceptors: 2
LogS:	-4.56	H-donors: 2
tPSA:	110.34 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.