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MCULE-9197150733-0

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mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-504022115	Innovapharm	Virtual Screening Compounds	90	As is	by synthesis
P-504021226	Innovapharm	Virtual Screening Compounds	90	Main component as a main component	by synthesis
P-504021739	Innovapharm	Virtual Screening Compounds	90	Main component as a main component	by synthesis

Property	Value
Components	2
Mass	301.248
logP	0.5817
H-bond acceptors	5
H-bond donors	0
Rotatable bonds	4
PSA	77.51
RO5 violations	0
RO3 violations	4
Refractivity	80.6515
Atoms	35
Rings	3
Heavy atoms	23
Hydrogen atoms	12
Heteroatoms	6
N/O atoms	5
Inorganic atoms	1
Halogen atoms	0
Chiral centers	1
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	1
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0