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AI-372/20970054 is available in 934 mg

Compound details
Formula:		C14 H12 O3
Weight:		228.25
Chiral info:		Not available
Name:		Ononetin, derivative of
SMILES:		Oc1ccc(c(O)c1)C(=O)Cc2ccccc2
InChI^TM:		InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2
InChIKey^TM:		VFQKAJVKZKHVPD-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.2	H-acceptors: 1
LogS:	-3.02	H-donors: 2
tPSA:	57.53 Å²	Rotatable bonds: 3

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