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P-505440922

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Name File
SDF P-505440922.sdf
SMILES P-505440922.smiles
Standard InChI P-505440922.inchi
InChIKey P-505440922.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-505440922 BOCSCI All products 97 in stock July 6, 2017
Property Value
Components 2
Mass 205.637
logP 1.8069
H-bond acceptors 4
H-bond donors 4
Rotatable bonds 2
PSA 86.71
RO5 violations 0
RO3 violations 3
Refractivity 51.9564
Atoms 25
Rings 1
Heavy atoms 13
Hydrogen atoms 12
Heteroatoms 5
N/O atoms 4
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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