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AI-942/13331025 is available in 17933 mg

Compound details
MDL #:		MFCD01927100
Formula:		C6 H4 Br N O2
Weight:		202.01
Chiral info:		Not available
Name:		6-bromonicotinic acid
SMILES:		OC(=O)c1ccc(nc1)Br
InChI^TM:		InChI=1S/C6H4BrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChIKey^TM:		JDJBRMNTXORYEN-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1790 mg/Kg
Developmental Toxicity Potential:		0.04

Chemical properties calculations
LogP:	1.58	H-acceptors: 3
LogS:	-2.02	H-donors: 1
tPSA:	50.19 Å²	Rotatable bonds: 1

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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.