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P-482192692

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Name File
SDF P-482192692.sdf
SMILES P-482192692.smiles
Standard InChI P-482192692.inchi
InChIKey P-482192692.txt
Property Value
Components 1
Mass 454.126
logP 7.2126
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 4
PSA 65.18
RO5 violations 1
RO3 violations 5
Refractivity 117.92
Atoms 40
Rings 3
Heavy atoms 28
Hydrogen atoms 12
Heteroatoms 8
N/O atoms 4
Inorganic atoms 0
Halogen atoms 4
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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