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AI-204/13222002 is available in 3740 mg

Compound details
MDL #:		MFCD00277058
Formula:		C16 H18 N2 O
Weight:		254.33
Chiral info:		Not available
Name:		2-amino-N-(4-isopropylphenyl)benzamide
SMILES:		CC(C)c1ccc(cc1)NC(=O)c2ccccc2(N)
InChI^TM:		InChI=1S/C16H18N2O/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey^TM:		ZUWRVYUSVRFPPJ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		8860 mg/Kg
Chronic LOAEL:		22.5 mg/Kg
AMES Mutagenicity:		0.98

Chemical properties calculations
LogP:	4.16	H-acceptors: 3
LogS:	-4.61	H-donors: 2
tPSA:	55.12 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.