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AJ-087/41885618 is available in 3454 mg

Compound details
MDL #:		MFCD03422232
Formula:		C11 H13 Cl O3
Weight:		228.67
Chiral info:		Not available
Name:		2-(4-chloro-2-methylphenoxy)butanoic acid
SMILES:		CCC(Oc1ccc(cc1(C))Cl)C(O)=O
InChI^TM:		InChI=1S/C11H13ClO3/c1-3-9(11(13)14)15-10-5-4-8(12)6-7(10)2/h4-6,9H,3H2,1-2H3,(H,13,14)
InChIKey^TM:		GVMOTDXEGIBMCK-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		470 mg/Kg
Chronic LOAEL:		13.6 mg/Kg
Developmental Toxicity Potential:		0.51

Chemical properties calculations
LogP:	3.47	H-acceptors: 2
LogS:	-3.44	H-donors: 1
tPSA:	46.53 Å²	Rotatable bonds: 4

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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.