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AF-399/25070004 is available in 26996 mg

Compound details
MDL #:		MFCD02323230
Formula:		C15 H22 N2
Weight:		230.35
Salt Data:		H2SO4
Chiral info:		Not available
Name:		2-methyl-1-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline
SMILES:		CN3CCc1ccccc1C3(C2CCNCC2)
InChI^TM:		InChI=1S/C15H22N2/c1-17-11-8-12-4-2-3-5-14(12)15(17)13-6-9-16-10-7-13/h2-5,13,15-16H,6-11H2,1H3
InChIKey^TM:		PZHSWXZQRBFJRO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		618 mg/Kg
Chronic LOAEL:		35 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	2.66	H-acceptors: 2
LogS:	-2.14	H-donors: 1
tPSA:	15.27 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.