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P-505483837

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Name File
SDF P-505483837.sdf
SMILES P-505483837.smiles
Standard InChI P-505483837.inchi
InChIKey P-505483837.txt
Property Value
Components 3
Mass 503.234
logP 2.3781
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 4
PSA 117.56
RO5 violations 1
RO3 violations 4
Refractivity 113.6625
Atoms 47
Rings 3
Heavy atoms 33
Hydrogen atoms 14
Heteroatoms 10
N/O atoms 6
Inorganic atoms 2
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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