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P-454654378

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Name File
SDF P-454654378.sdf
SMILES P-454654378.smiles
Standard InChI P-454654378.inchi
InChIKey P-454654378.txt
Property Value
Components 1
Mass 137.139
logP 0.8764
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 1
PSA 71.5
RO5 violations 0
RO3 violations 2
Refractivity 36.3249
Atoms 17
Rings 1
Heavy atoms 10
Hydrogen atoms 7
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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