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AJ-292/42152712 is available in 21 mg

Compound details
MDL #:		MFCD04089829
Formula:		C22 H20 N2 O
Weight:		328.41
Chiral info:		Not available
Name:		[2-(benzyloxy)phenyl](4-toluidino)acetonitrile
SMILES:		Cc1ccc(cc1)NC(C#N)c3ccccc3(OCc2ccccc2)
InChI^TM:		InChI=1S/C22H20N2O/c1-17-11-13-19(14-12-17)24-21(15-23)20-9-5-6-10-22(20)25-16-18-7-3-2-4-8-18/h2-14,21,24H,16H2,1H3
InChIKey^TM:		NXJCNRBMBWLIRW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1090 mg/Kg
Chronic LOAEL:		74 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	4.82	H-acceptors: 2
LogS:	-5.97	H-donors: 1
tPSA:	45.05 Å²	Rotatable bonds: 6

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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.