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AE-641/00369001 is available in 58827 mg

Compound details
MDL #:		MFCD00006396
Formula:		C7 H7 N O
Weight:		121.14
Salt Data:		picrate
Chiral info:		Not available
Name:		1-(3-pyridinyl)ethanone
SMILES:		CC(=O)c1cccnc1
InChI^TM:		InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
InChIKey^TM:		WEGYGNROSJDEIW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		483 mg/Kg
Chronic LOAEL:		142 mg/Kg
AMES Mutagenicity:		0.03
Developmental Toxicity Potential:		0.75

Chemical properties calculations
LogP:	0.43	H-acceptors: 2
LogS:	-0.45
tPSA:	29.96 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.