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MCULE-4117121863-0

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mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-675486025	Innovapharm	Building Blocks	95	As a main component	in stock
P-675344359	Innovapharm	Screening Compounds	90	As a main component	in stock
P-675256526	Innovapharm	Virtual Building Blocks	95	As a main component	by synthesis
P-675515296	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-873218275	TimTec	Building Block Collection	90	As a main component	in stock

Property	Value
Components	1
Mass	213.250
logP	0.3518
H-bond acceptors	4
H-bond donors	0
Rotatable bonds	3
PSA	66.43
RO5 violations	0
RO3 violations	2
Refractivity	53.4715
Atoms	32
Rings	1
Heavy atoms	15
Hydrogen atoms	17
Heteroatoms	4
N/O atoms	4
Inorganic atoms	0
Halogen atoms	0
Chiral centers	2
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	2
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0