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AE-641/30157047 is available in 1427 mg

Compound details
MDL #:		MFCD01657439
Formula:		C15 H17 N S
Weight:		243.37
Salt Data:		cis-HOOCCHCHCOOH
Chiral info:		Not available
Name:		N,N-dimethyl-N-[2-(phenylsulfanyl)benzyl]amine
SMILES:		CN(C)Cc1ccccc1Sc2ccccc2
InChI^TM:		InChI=1S/C15H17NS/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11H,12H2,1-2H3
InChIKey^TM:		FUIKDYGWMKMQNR-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		256 mg/Kg
Chronic LOAEL:		12.4 mg/Kg
Developmental Toxicity Potential:		0.99

Chemical properties calculations
LogP:	4.04	H-acceptors: 1
LogS:	-3.42
tPSA:	28.54 Å²	Rotatable bonds: 4

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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.