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MCULE-6572487779-1

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Name	File
SDF	MCULE-6572487779-1.sdf
SMILES	MCULE-6572487779-1.smiles
Standard InChI	MCULE-6572487779-1.inchi
InChIKey	MCULE-6572487779-1.txt

mcule product ID	Guaranteed purity (%)	Product matching	Availability
P-33404275	90	As a component	in stock

Property	Value
Components	1
Mass	95.100
logP	0.2422
H-bond acceptors	3
H-bond donors	0
Rotatable bonds	0
PSA	65.58
RO5 violations	0
RO3 violations	1
Refractivity	15.6054
Atoms	8
Rings	0
Heavy atoms	5
Hydrogen atoms	3
Heteroatoms	4
N/O atoms	3
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-6572487779-1

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