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AC-542/20644009 is available in 5000 mg

Compound details
Formula:		C17 H26 O4
Weight:		294.39
Chiral info:		Not available
Name:		Embelin
SMILES:		CCCCCCCCCCCC=1C(=O)C(O)=CC(=O)C=1(O)
InChI^TM:		InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey^TM:		IRSFLDGTOHBADP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		25400 mg/Kg
Developmental Toxicity Potential:		0.32

Chemical properties calculations
LogP:	5.91	H-acceptors: 4
LogS:	-5.89	H-donors: 2
tPSA:	74.6 Å²	Rotatable bonds: 10

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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.