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MCULE-1176533515-0

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Name	File
SDF	MCULE-1176533515-0.sdf
SMILES	MCULE-1176533515-0.smiles
Standard InChI	MCULE-1176533515-0.inchi
InChIKey	MCULE-1176533515-0.txt

Property	Value
Components	1
Mass	171.196
logP	1.9799
H-bond acceptors	3
H-bond donors	0
Rotatable bonds	1
PSA	65.58
RO5 violations	0
RO3 violations	1
Refractivity	39.4154
Atoms	18
Rings	1
Heavy atoms	11
Hydrogen atoms	7
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-1176533515-0

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