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P-580191793

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Name File
SDF P-580191793.sdf
SMILES P-580191793.smiles
Standard InChI P-580191793.inchi
InChIKey P-580191793.txt
Property Value
Components 2
Mass 236.092
logP 3.0151
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 52.32
RO5 violations 0
RO3 violations 1
Refractivity 56.9894
Atoms 25
Rings 1
Heavy atoms 14
Hydrogen atoms 11
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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