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AI-942/25034820 is available in 7 mg

Compound details
MDL #:		MFCD01722151
Formula:		C11 H14 O2
Weight:		178.23
Chiral info:		Not available
Name:		3-phenylpentanoic acid
SMILES:		CCC(CC(O)=O)c1ccccc1
InChI^TM:		InChI=1S/C11H14O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)
InChIKey^TM:		NJEKDDOCPZKREE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2790 mg/Kg
AMES Mutagenicity:		0.4
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	3.19	H-acceptors: 2
LogS:	-2.83	H-donors: 1
tPSA:	37.3 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.