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P-34160113

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Name File
SDF P-34160113.sdf
SMILES P-34160113.smiles
Standard InChI P-34160113.inchi
InChIKey P-34160113.txt
Property Value
Components 2
Mass 419.860
logP 3.1707
H-bond acceptors 9
H-bond donors 1
Rotatable bonds 5
PSA 106.95
RO5 violations 0
RO3 violations 5
Refractivity 117.3259
Atoms 51
Rings 4
Heavy atoms 29
Hydrogen atoms 22
Heteroatoms 10
N/O atoms 9
Inorganic atoms 0
Halogen atoms 1
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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