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AE-641/11702937 is available in 2258 mg

Compound details
MDL #:		MFCD00800250
Formula:		C12 H17 N O
Weight:		191.27
Salt Data:		HCl
Chiral info:		Not available
Name:		3-(1-piperidinylmethyl)phenol
SMILES:		Oc1cccc(c1)CN2CCCCC2
InChI^TM:		InChI=1S/C12H17NO/c14-12-6-4-5-11(9-12)10-13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
InChIKey^TM:		ORGBERFQYFWYGX-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		773 mg/Kg
Chronic LOAEL:		2.39 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	2.63	H-acceptors: 1
LogS:	-1.25	H-donors: 1
tPSA:	23.47 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.