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MCULE-2082274469-0

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mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-892487042	Asinex	General screening catalog	90	As is	unavailable
P-34559298	Crea-Chim	HTS compounds	90	As is	unavailable
P-3238978	VITAS M CHEMICAL LIMITED	Collections of Fragments for Fragment-based Drug Discovery	90	Main component	unavailable

Property	Value
Components	2
Mass	336.425
logP	1.9425
H-bond acceptors	6
H-bond donors	2
Rotatable bonds	5
PSA	81.08
RO5 violations	0
RO3 violations	4
Refractivity	101.6096
Atoms	52
Rings	2
Heavy atoms	24
Hydrogen atoms	28
Heteroatoms	6
N/O atoms	6
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