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P-580292937

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Name File
SDF P-580292937.sdf
SMILES P-580292937.smiles
Standard InChI P-580292937.inchi
InChIKey P-580292937.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-580292937 Debye Scientific General Catalog 95 by resynthesis (? - ? days) May 31, 2018
Property Value
Components 2
Mass 67.517
logP 1.0772
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 0
PSA 26.02
RO5 violations 0
RO3 violations 0
Refractivity 16.5934
Atoms 9
Rings 0
Heavy atoms 3
Hydrogen atoms 6
Heteroatoms 2
N/O atoms 1
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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