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P-505417025

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Name File
SDF P-505417025.sdf
SMILES P-505417025.smiles
Standard InChI P-505417025.inchi
InChIKey P-505417025.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-505417025 BOCSCI All products 97 in stock July 6, 2017
Property Value
Components 2
Mass 433.951
logP 4.284
H-bond acceptors 8
H-bond donors 4
Rotatable bonds 9
PSA 131.37
RO5 violations 0
RO3 violations 6
Refractivity 112.794
Atoms 56
Rings 2
Heavy atoms 28
Hydrogen atoms 28
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 1
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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