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AG-690/13115141 is available in 76 mg

Compound details
MDL #:		MFCD02043901
Formula:		C20 H11 Cl2 N5 O8
Weight:		520.24
Chiral info:		Not available
Name:		N~1~,N~3~-bis{2-chloro-5-nitrophenyl}-5-nitroisophthalamide
SMILES:		O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])c2cc(cc(c2)[N+](=O)[O-])C(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
InChI^TM:		InChI=1S/C20H11Cl2N5O8/c21-15-3-1-12(25(30)31)8-17(15)23-19(28)10-5-11(7-14(6-10)27(34)35)20(29)24-18-9-13(26(32)33)2-4-16(18)22/h1-9H,(H,23,28)(H,24,29)
InChIKey^TM:		GDZGALNTCDZPRK-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6390 mg/Kg
Chronic LOAEL:		2510 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.01

Chemical properties calculations
LogP:	4.46	H-acceptors: 4
LogS:	-7.19	H-donors: 2
tPSA:	187.62 Å²	Rotatable bonds: 9

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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.