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AE-646/12709029 is available in 3850 mg

Compound details
MDL #:		MFCD00033058
Formula:		C13 H12 O2
Weight:		200.24
Chiral info:		Not available
Name:		3-(1-naphthyl)propanoic acid
SMILES:		OC(=O)CCc2cccc1ccccc12
InChI^TM:		InChI=1S/C13H12O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,14,15)
InChIKey^TM:		PRLKVVMRQFFIOQ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2080 mg/Kg
Chronic LOAEL:		9.48 mg/Kg
AMES Mutagenicity:		0.16
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	3.46	H-acceptors: 2
LogS:	-3.22	H-donors: 1
tPSA:	37.3 Å²	Rotatable bonds: 3

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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.