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P-579716382

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Name File
SDF P-579716382.sdf
SMILES P-579716382.smiles
Standard InChI P-579716382.inchi
InChIKey P-579716382.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-579716382 Paragos In-stock compounds N/A in stock
Property Value
Components 1
Mass 485.936
logP 4.5359
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 9
PSA 88.61
RO5 violations 0
RO3 violations 5
Refractivity 129.8964
Atoms 59
Rings 4
Heavy atoms 34
Hydrogen atoms 25
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 1
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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