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P-893065079

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Name File
SDF P-893065079.sdf
SMILES P-893065079.smiles
Standard InChI P-893065079.inchi
InChIKey P-893065079.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-893065079 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 426.306
logP 4.828
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 5
PSA 69.22
RO5 violations 0
RO3 violations 5
Refractivity 112.5122
Atoms 47
Rings 4
Heavy atoms 27
Hydrogen atoms 20
Heteroatoms 6
N/O atoms 5
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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