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AF-399/41785452 is available in 99 mg

Compound details
MDL #:		MFCD03861303
Formula:		C14 H10 Cl N O2
Weight:		259.69
Chiral info:		Not available
Name:		3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one
SMILES:		O=C3Oc1ccccc1N3(Cc2ccccc2Cl)
InChI^TM:		InChI=1S/C14H10ClNO2/c15-11-6-2-1-5-10(11)9-16-12-7-3-4-8-13(12)18-14(16)17/h1-8H,9H2
InChIKey^TM:		TXYKXLSNFKAKJF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		318 mg/Kg
Chronic LOAEL:		32.4 mg/Kg
AMES Mutagenicity:		0.84
Developmental Toxicity Potential:		0.68

Chemical properties calculations
LogP:	4.04	H-acceptors: 2
LogS:	-4.55
tPSA:	29.54 Å²	Rotatable bonds: 2

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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.