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P-580421136

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Name File
SDF P-580421136.sdf
SMILES P-580421136.smiles
Standard InChI P-580421136.inchi
InChIKey P-580421136.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580421136 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 216.277
logP 1.2192
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 4
PSA 64.79
RO5 violations 0
RO3 violations 3
Refractivity 60.3854
Atoms 35
Rings 1
Heavy atoms 15
Hydrogen atoms 20
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
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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