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AE-641/02305020 is available in 3109 mg

Compound details
MDL #:		MFCD00007896
Formula:		C8 H9 N O
Weight:		135.17
Salt Data:		NH2SO3H
Chiral info:		Not available
Name:		1-(4-aminophenyl)ethanone
SMILES:		CC(=O)c1ccc(N)cc1
InChI^TM:		InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChIKey^TM:		GPRYKVSEZCQIHD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1060 mg/Kg
Chronic LOAEL:		768 mg/Kg

Chemical properties calculations
LogP:	0.83	H-acceptors: 2
LogS:	-0.9	H-donors: 1
tPSA:	43.09 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.