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MCULE-1504889908-2

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Name	File
SDF	MCULE-1504889908-2.sdf
SMILES	MCULE-1504889908-2.smiles
Standard InChI	MCULE-1504889908-2.inchi
InChIKey	MCULE-1504889908-2.txt

mcule product ID	Supplier	Catalog	Guaranteed purity (%)	Product matching	Availability
P-580417357	Debye Scientific	General Catalog	95	As a component	by resynthesis (? - ? days)

Property	Value
Components	1
Mass	97.073
logP	0.0854
H-bond acceptors	4
H-bond donors	1
Rotatable bonds	0
PSA	85.81
RO5 violations	0
RO3 violations	2
Refractivity	12.3702
Atoms	6
Rings	0
Heavy atoms	5
Hydrogen atoms	1
Heteroatoms	5
N/O atoms	4
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-1504889908-2

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