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P-502687287

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Name File
SDF P-502687287.sdf
SMILES P-502687287.smiles
Standard InChI P-502687287.inchi
InChIKey P-502687287.txt
Property Value
Components 1
Mass 422.429
logP 3.3745
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 6
PSA 105.92
RO5 violations 0
RO3 violations 5
Refractivity 111.9454
Atoms 53
Rings 4
Heavy atoms 31
Hydrogen atoms 22
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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