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AA-516/31409051 is available in 60 mg

Compound details
MDL #:		MFCD01830478
Formula:		C12 H7 Br N2 O4 S2
Weight:		387.23
Chiral info:		Not available
Name:		1-(4-bromophenyl)-6-nitro-1lambda~4~,3,2-benzodithiazole 3,3-dioxide
SMILES:		O=[N+]([O-])c1ccc2c(c1)S(=NS2(=O)(=O))c3ccc(cc3)Br
InChI^TM:		InChI=1S/C12H7BrN2O4S2/c13-8-1-4-10(5-2-8)20-11-7-9(15(16)17)3-6-12(11)21(18,19)14-20/h1-7H
InChIKey^TM:		QZUCRZKNXXRCTI-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		4090 mg/Kg
Chronic LOAEL:		171 mg/Kg
AMES Mutagenicity:		0.33
Developmental Toxicity Potential:		0.98

Chemical properties calculations
LogP:	4.26	H-acceptors: 3
LogS:	-6.05
tPSA:	117.23 Å²	Rotatable bonds: 2

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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.