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AF-399/25051010 is available in 7275 mg

Compound details
MDL #:		MFCD00781745
Formula:		C9 H4 Cl2 O2 S
Weight:		247.1
Chiral info:		Not available
Name:		3,6-dichloro-1-benzothiophene-2-carboxylic acid
SMILES:		OC(=O)c2c(c1ccc(cc1s2)Cl)Cl
InChI^TM:		InChI=1S/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
InChIKey^TM:		AAHPIJMQJAZYTM-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1920 mg/Kg
Chronic LOAEL:		49.4 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.16	H-acceptors: 2
LogS:	-4.56	H-donors: 1
tPSA:	65.54 Å²	Rotatable bonds: 1

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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.