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P-485255730

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Name File
SDF P-485255730.sdf
SMILES P-485255730.smiles
Standard InChI P-485255730.inchi
InChIKey P-485255730.txt
Property Value
Components 3
Mass 800.974
logP 5.2908
H-bond acceptors 12
H-bond donors 8
Rotatable bonds 13
PSA 202.46
RO5 violations 4
RO3 violations 6
Refractivity 231.6748
Atoms 118
Rings 6
Heavy atoms 58
Hydrogen atoms 60
Heteroatoms 12
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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