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P-608264279

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Name File
SDF P-608264279.sdf
SMILES P-608264279.smiles
Standard InChI P-608264279.inchi
InChIKey P-608264279.txt
Property Value
Components 1
Mass 444.525
logP 4.4366
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 10
PSA 74.77
RO5 violations 0
RO3 violations 5
Refractivity 131.7697
Atoms 61
Rings 3
Heavy atoms 33
Hydrogen atoms 28
Heteroatoms 7
N/O atoms 7
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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