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AQ-776/42801728 is available in 2 mg

Compound details
MDL #:		MFCD05863446
Formula:		C14 H17 N O3
Weight:		247.29
Chiral info:		Not available
Name:		(1-benzoyl-3-piperidinyl)acetic acid
SMILES:		OC(=O)CC1CCCN(C1)C(=O)c2ccccc2
InChI^TM:		InChI=1S/C14H17NO3/c16-13(17)9-11-5-4-8-15(10-11)14(18)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,17)
InChIKey^TM:		OQLKCVBLKYLXAZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3170 mg/Kg
Chronic LOAEL:		26.5 mg/Kg
Developmental Toxicity Potential:		0.02

Chemical properties calculations
LogP:	1.76	H-acceptors: 4
LogS:	-2.51	H-donors: 1
tPSA:	57.61 Å²	Rotatable bonds: 4

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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.