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P-505469926

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Name File
SDF P-505469926.sdf
SMILES P-505469926.smiles
Standard InChI P-505469926.inchi
InChIKey P-505469926.txt
Property Value
Components 2
Mass 578.844
logP 1.8953
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 69.23
RO5 violations 1
RO3 violations 3
Refractivity 83.9227
Atoms 22
Rings 1
Heavy atoms 17
Hydrogen atoms 5
Heteroatoms 8
N/O atoms 4
Inorganic atoms 1
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
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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