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P-505453280

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Name File
SDF P-505453280.sdf
SMILES P-505453280.smiles
Standard InChI P-505453280.inchi
InChIKey P-505453280.txt
Property Value
Components 1
Mass 242.229
logP 3.5058
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 3
PSA 82.25
RO5 violations 0
RO3 violations 3
Refractivity 66.0423
Atoms 28
Rings 2
Heavy atoms 18
Hydrogen atoms 10
Heteroatoms 5
N/O atoms 5
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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