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MCULE-1858636187-0

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Name	File
SDF	MCULE-1858636187-0.sdf
SMILES	MCULE-1858636187-0.smiles
Standard InChI	MCULE-1858636187-0.inchi
InChIKey	MCULE-1858636187-0.txt

Property	Value
Components	1
Mass	99.449
logP	0.2143
H-bond acceptors	4
H-bond donors	0
Rotatable bonds	0
PSA	74.27
RO5 violations	0
RO3 violations	2
Refractivity	8.599
Atoms	5
Rings	0
Heavy atoms	5
Hydrogen atoms	0
Heteroatoms	5
N/O atoms	4
Inorganic atoms	0
Halogen atoms	1
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-1858636187-0

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