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P-445618694

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Name File
SDF P-445618694.sdf
SMILES P-445618694.smiles
Standard InChI P-445618694.inchi
InChIKey P-445618694.txt
Property Value
Components 1
Mass 256.256
logP 2.6476
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 3
PSA 95.91
RO5 violations 0
RO3 violations 2
Refractivity 72.2789
Atoms 31
Rings 2
Heavy atoms 19
Hydrogen atoms 12
Heteroatoms 5
N/O atoms 5
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 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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