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P-580421497

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Name File
SDF P-580421497.sdf
SMILES P-580421497.smiles
Standard InChI P-580421497.inchi
InChIKey P-580421497.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580421497 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 229.070
logP 2.2728
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 3
PSA 26.3
RO5 violations 0
RO3 violations 0
Refractivity 50.9985
Atoms 21
Rings 1
Heavy atoms 12
Hydrogen atoms 9
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
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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