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AK-777/09836055 is available in 63 mg

Compound details
MDL #:		MFCD00128283
Formula:		C13 H18 N2 S
Weight:		234.37
Chiral info:		Not available
Name:		2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SMILES:		CC(C)(C)C1CCc2c(C#N)c(N)sc2(C1)
InChI^TM:		InChI=1S/C13H18N2S/c1-13(2,3)8-4-5-9-10(7-14)12(15)16-11(9)6-8/h8H,4-6,15H2,1-3H3
InChIKey^TM:		QDIYAWBTKKYATE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		237 mg/Kg
Chronic LOAEL:		9 mg/Kg
Developmental Toxicity Potential:		0.43

Chemical properties calculations
LogP:	4.74	H-acceptors: 2
LogS:	-5.22	H-donors: 1
tPSA:	78.05 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.