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AG-205/40088415 is available in 17595 mg

Compound details
MDL #:		MFCD00735172
Formula:		C11 H15 N O4
Weight:		225.24
Chiral info:		Not available
Name:		3-(3,4-dimethoxyphenyl)-beta-alanine
SMILES:		COc1ccc(cc1(OC))C(N)CC(O)=O
InChI^TM:		InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
InChIKey^TM:		FGCXSFRGPCUBPW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		604 mg/Kg
Chronic LOAEL:		174 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	-2.81	H-acceptors: 3
LogS:	-0.51	H-donors: 2
tPSA:	81.78 Å²	Rotatable bonds: 5

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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.