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P-425454432

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Name File
SDF P-425454432.sdf
SMILES P-425454432.smiles
Standard InChI P-425454432.inchi
InChIKey P-425454432.txt
Property Value
Components 1
Mass 476.973
logP 5.5318
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 8
PSA 109.95
RO5 violations 1
RO3 violations 5
Refractivity 129.9814
Atoms 57
Rings 3
Heavy atoms 32
Hydrogen atoms 25
Heteroatoms 9
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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