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P-889337613

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Name File
SDF P-889337613.sdf
SMILES P-889337613.smiles
Standard InChI P-889337613.inchi
InChIKey P-889337613.txt
Property Value
Components 2
Mass 247.761
logP 4.5784
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 4
PSA 12.03
RO5 violations 0
RO3 violations 2
Refractivity 75.2757
Atoms 35
Rings 2
Heavy atoms 17
Hydrogen atoms 18
Heteroatoms 2
N/O atoms 1
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
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