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AQ-149/43256507 is available in 192 mg

Compound details
MDL #:		MFCD02161093
Formula:		C20 H15 Br F N O3
Weight:		416.24
Chiral info:		Not available
Name:		1-allyl-4-(4-bromobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
SMILES:		C=CCN3C(=O)C(O)=C(C(=O)c1ccc(cc1)Br)C3(c2ccc(F)cc2)
InChI^TM:		InChI=1S/C20H15BrFNO3/c1-2-11-23-17(12-5-9-15(22)10-6-12)16(19(25)20(23)26)18(24)13-3-7-14(21)8-4-13/h2-10,17,25H,1,11H2
InChIKey^TM:		RUCVKVZYJCJKSB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		990 mg/Kg
Chronic LOAEL:		59.3 mg/Kg
AMES Mutagenicity:		0.01
Developmental Toxicity Potential:		0.89

Chemical properties calculations
LogP:	3.26	H-acceptors: 4
LogS:	-5.02	H-donors: 1
tPSA:	57.61 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.