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AE-641/00009013 is available in 2856 mg

Compound details
MDL #:		MFCD00007937
Formula:		C6 H6 N2 O4 S
Weight:		202.19
Chiral info:		Not available
Name:		4-nitrobenzenesulfonamide
SMILES:		NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
InChI^TM:		InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKey^TM:		QWKKYJLAUWFPDB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		8490 mg/Kg
Chronic LOAEL:		27 mg/Kg
Developmental Toxicity Potential:		0.77

Chemical properties calculations
LogP:	Could not be calculated	H-acceptors: 3
LogS:	Could not be calculated	H-donors: 1
tPSA:	111.68 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.