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P-551953418

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Name File
SDF P-551953418.sdf
SMILES P-551953418.smiles
Standard InChI P-551953418.inchi
InChIKey P-551953418.txt
Property Value
Components 1
Mass 118.088
logP -0.0642
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 3
PSA 74.6
RO5 violations 0
RO3 violations 2
Refractivity 24.8856
Atoms 14
Rings 0
Heavy atoms 8
Hydrogen atoms 6
Heteroatoms 4
N/O atoms 4
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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