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AE-641/00371017 is available in 2777 mg

Compound details
MDL #:		MFCD00003138
Formula:		C10 H10 N2 O
Weight:		174.2
Chiral info:		Not available
Name:		5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SMILES:		CC=1CC(=O)N(N=1)c2ccccc2
InChI^TM:		InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey^TM:		QELUYTUMUWHWMC-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3590 mg/Kg
Chronic LOAEL:		52 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.47	H-acceptors: 3
LogS:	-4.29
tPSA:	32.67 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.