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AP-836/41220431 is available in 20236 mg

Compound details
MDL #:		MFCD03426851
Formula:		C11 H12 O2 S
Weight:		208.28
Chiral info:		Not available
Name:		2-(thien-2-ylcarbonyl)cyclohexanone
SMILES:		O=C1CCCCC1C(=O)c2cccs2
InChI^TM:		InChI=1S/C11H12O2S/c12-9-5-2-1-4-8(9)11(13)10-6-3-7-14-10/h3,6-8H,1-2,4-5H2
InChIKey^TM:		ALPXVBJYDYHXST-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		852 mg/Kg
Chronic LOAEL:		63 mg/Kg

Chemical properties calculations
LogP:	1.71	H-acceptors: 2
LogS:	-2.18
tPSA:	62.38 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.