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AE-641/00368010 is available in 2642 mg

Compound details
MDL #:		MFCD00006391
Formula:		C6 H5 N O2
Weight:		123.11
Salt Data:		HCl
Chiral info:		Not available
Name:		nicotinic acid
SMILES:		OC(=O)c1cccnc1
InChI^TM:		InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey^TM:		PVNIIMVLHYAWGP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1820 mg/Kg
Chronic LOAEL:		75 mg/Kg
Developmental Toxicity Potential:		0.66

Chemical properties calculations
LogP:	0.36	H-acceptors: 3
LogS:	-0.41	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.