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P-505459991

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Name File
SDF P-505459991.sdf
SMILES P-505459991.smiles
Standard InChI P-505459991.inchi
InChIKey P-505459991.txt
Property Value
Components 3
Mass 462.405
logP -2.459
H-bond acceptors 14
H-bond donors 8
Rotatable bonds 7
PSA 246.25
RO5 violations 2
RO3 violations 5
Refractivity 107.5464
Atoms 58
Rings 2
Heavy atoms 32
Hydrogen atoms 26
Heteroatoms 14
N/O atoms 14
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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