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P-505486540

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Name File
SDF P-505486540.sdf
SMILES P-505486540.smiles
Standard InChI P-505486540.inchi
InChIKey P-505486540.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-505486540 BOCSCI All products 97 in stock July 6, 2017
Property Value
Components 1
Mass 177.225
logP 2.6235
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 2
PSA 61.52
RO5 violations 0
RO3 violations 1
Refractivity 51.3225
Atoms 19
Rings 1
Heavy atoms 12
Hydrogen atoms 7
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
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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