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AB-131/40897079 is available in 58 mg

Compound details
MDL #:		MFCD00015160
Formula:		C14 H17 N O5
Weight:		279.29
Chiral info:		Not available
Name:		diethyl 2-(benzoylamino)malonate
SMILES:		CCOC(=O)C(NC(=O)c1ccccc1)C(=O)OCC
InChI^TM:		InChI=1S/C14H17NO5/c1-3-19-13(17)11(14(18)20-4-2)15-12(16)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,16)
InChIKey^TM:		NMSZTQWZINJIMY-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		5100 mg/Kg
Chronic LOAEL:		13 mg/Kg
Developmental Toxicity Potential:		0.01

Chemical properties calculations
LogP:	1.19	H-acceptors: 6
LogS:	-2.26	H-donors: 1
tPSA:	81.7 Å²	Rotatable bonds: 9

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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.