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P-584601650

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Name File
SDF P-584601650.sdf
SMILES P-584601650.smiles
Standard InChI P-584601650.inchi
InChIKey P-584601650.txt
Property Value
Components 2
Mass 364.392
logP 0.9748
H-bond acceptors 8
H-bond donors 5
Rotatable bonds 5
PSA 146.01
RO5 violations 0
RO3 violations 5
Refractivity 95.5146
Atoms 50
Rings 3
Heavy atoms 26
Hydrogen atoms 24
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
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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