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P-505415706

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Name File
SDF P-505415706.sdf
SMILES P-505415706.smiles
Standard InChI P-505415706.inchi
InChIKey P-505415706.txt
Property Value
Components 1
Mass 348.477
logP 6.2943
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 3
PSA 37.3
RO5 violations 1
RO3 violations 2
Refractivity 110.0043
Atoms 54
Rings 3
Heavy atoms 26
Hydrogen atoms 28
Heteroatoms 2
N/O atoms 2
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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