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P-851736546

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Name File
SDF P-851736546.sdf
SMILES P-851736546.smiles
Standard InChI P-851736546.inchi
InChIKey P-851736546.txt
Property Value
Components 3
Mass 359.205
logP 2.1047
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 6
PSA 92.67
RO5 violations 0
RO3 violations 4
Refractivity 90.4424
Atoms 39
Rings 2
Heavy atoms 23
Hydrogen atoms 16
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 2
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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