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P-505413119

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Name File
SDF P-505413119.sdf
SMILES P-505413119.smiles
Standard InChI P-505413119.inchi
InChIKey P-505413119.txt
Property Value
Components 2
Mass 364.864
logP 4.0286
H-bond acceptors 5
H-bond donors 4
Rotatable bonds 8
PSA 95.58
RO5 violations 0
RO3 violations 6
Refractivity 100.9764
Atoms 50
Rings 2
Heavy atoms 25
Hydrogen atoms 25
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
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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