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P-579633749

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Name File
SDF P-579633749.sdf
SMILES P-579633749.smiles
Standard InChI P-579633749.inchi
InChIKey P-579633749.txt
Property Value
Components 2
Mass 417.866
logP 3.955
H-bond acceptors 7
H-bond donors 4
Rotatable bonds 8
PSA 115.73
RO5 violations 0
RO3 violations 6
Refractivity 111.6736
Atoms 56
Rings 2
Heavy atoms 27
Hydrogen atoms 29
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
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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