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P-580433424

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Name File
SDF P-580433424.sdf
SMILES P-580433424.smiles
Standard InChI P-580433424.inchi
InChIKey P-580433424.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580433424 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 264.125
logP 3.5891
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 0
PSA 21.27
RO5 violations 0
RO3 violations 1
Refractivity 52.2387
Atoms 27
Rings 1
Heavy atoms 15
Hydrogen atoms 12
Heteroatoms 10
N/O atoms 2
Inorganic atoms 0
Halogen atoms 7
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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