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P-854729794

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Name File
SDF P-854729794.sdf
SMILES P-854729794.smiles
Standard InChI P-854729794.inchi
InChIKey P-854729794.txt
Property Value
Components 2
Mass 307.297
logP -1.2447
H-bond acceptors 9
H-bond donors 5
Rotatable bonds 6
PSA 153.39
RO5 violations 0
RO3 violations 5
Refractivity 73.6669
Atoms 42
Rings 1
Heavy atoms 21
Hydrogen atoms 21
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
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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