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MCULE-8295936189-0

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Name	File
SDF	MCULE-8295936189-0.sdf
SMILES	MCULE-8295936189-0.smiles
Standard InChI	MCULE-8295936189-0.inchi
InChIKey	MCULE-8295936189-0.txt

mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-593253427	Otava	Virtual BB	95	As a component	by synthesis

Property	Value
Components	1
Mass	59.044
logP	-1.2438
H-bond acceptors	2
H-bond donors	0
Rotatable bonds	0
PSA	40.13
RO5 violations	0
RO3 violations	0
Refractivity	11.5575
Atoms	7
Rings	0
Heavy atoms	4
Hydrogen atoms	3
Heteroatoms	2
N/O atoms	2
Inorganic atoms	0
Halogen atoms	0
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	0
Cis/trans stereo double bonds	0
Unknown stereo double bonds	0
Undefined stereo double bonds	0

MCULE-8295936189-0

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