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P-893065471

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Name File
SDF P-893065471.sdf
SMILES P-893065471.smiles
Standard InChI P-893065471.inchi
InChIKey P-893065471.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-893065471 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 483.985
logP 5.0345
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 9
PSA 98.68
RO5 violations 1
RO3 violations 5
Refractivity 136.863
Atoms 64
Rings 4
Heavy atoms 34
Hydrogen atoms 30
Heteroatoms 8
N/O atoms 7
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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