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P-578507988

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Name File
SDF P-578507988.sdf
SMILES P-578507988.smiles
Standard InChI P-578507988.inchi
InChIKey P-578507988.txt
Property Value
Components 1
Mass 438.879
logP 3.7886
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 8
PSA 68.92
RO5 violations 0
RO3 violations 5
Refractivity 117.8817
Atoms 51
Rings 4
Heavy atoms 31
Hydrogen atoms 20
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 2
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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