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P-578507956

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Name File
SDF P-578507956.sdf
SMILES P-578507956.smiles
Standard InChI P-578507956.inchi
InChIKey P-578507956.txt
Property Value
Components 1
Mass 411.455
logP 3.24728
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 7
PSA 92.71
RO5 violations 0
RO3 violations 5
Refractivity 118.0092
Atoms 52
Rings 4
Heavy atoms 31
Hydrogen atoms 21
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
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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