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P-584581223

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Name File
SDF P-584581223.sdf
SMILES P-584581223.smiles
Standard InChI P-584581223.inchi
InChIKey P-584581223.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-584581223 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 296.338
logP 3.8795
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 2
PSA 37.05
RO5 violations 0
RO3 violations 1
Refractivity 88.5774
Atoms 39
Rings 4
Heavy atoms 22
Hydrogen atoms 17
Heteroatoms 4
N/O atoms 3
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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