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MCULE-9108557170-1

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mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-675529480	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-675529603	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis
P-675529720	Innovapharm	Virtual Screening Compounds	90	As a main component	by synthesis

Property	Value
Components	1
Mass	305.262
logP	0.8165
H-bond acceptors	8
H-bond donors	0
Rotatable bonds	5
PSA	123.33
RO5 violations	0
RO3 violations	4
Refractivity	79.4075
Atoms	35
Rings	2
Heavy atoms	22
Hydrogen atoms	13
Heteroatoms	8
N/O atoms	8
Inorganic atoms	0
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