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P-425503418

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Name File
SDF P-425503418.sdf
SMILES P-425503418.smiles
Standard InChI P-425503418.inchi
InChIKey P-425503418.txt
Property Value
Components 1
Mass 310.735
logP 0.9145
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 6
PSA 100.27
RO5 violations 0
RO3 violations 4
Refractivity 76.2688
Atoms 36
Rings 2
Heavy atoms 21
Hydrogen atoms 15
Heteroatoms 8
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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