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P-580726845

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Name File
SDF P-580726845.sdf
SMILES P-580726845.smiles
Standard InChI P-580726845.inchi
InChIKey P-580726845.txt
Property Value
Components 2
Mass 645.137
logP 4.911
H-bond acceptors 11
H-bond donors 1
Rotatable bonds 10
PSA 117.78
RO5 violations 2
RO3 violations 5
Refractivity 172.4872
Atoms 86
Rings 6
Heavy atoms 45
Hydrogen atoms 41
Heteroatoms 12
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
Chiral centers 6
R/S chiral centers 6
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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