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AF-399/41368457 is available in 13 mg

Compound details
Formula:		C14 H9 N O5 S2
Weight:		335.36
Chiral info:		Not available
Name:		2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
SMILES:		OC(=O)C4C2C(=O)Oc1ccccc1C2C3=C(NC(=O)S3)S4
InChI^TM:		InChI=1S/C14H9NO5S2/c16-12(17)10-8-7(9-11(21-10)15-14(19)22-9)5-3-1-2-4-6(5)20-13(8)18/h1-4,7-8,10H,(H,15,19)(H,16,17)
InChIKey^TM:		OKWDWXQSIUNHER-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		838000 mg/Kg
Chronic LOAEL:		5 mg/Kg
AMES Mutagenicity:		0.98

Chemical properties calculations
LogP:	-0.27	H-acceptors: 5
LogS:	-1.02	H-donors: 2
tPSA:	143.3 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.