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P-892994016

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Name File
SDF P-892994016.sdf
SMILES P-892994016.smiles
Standard InChI P-892994016.inchi
InChIKey P-892994016.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-892994016 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 431.275
logP 4.7858
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 6
PSA 61.83
RO5 violations 0
RO3 violations 5
Refractivity 105.3695
Atoms 46
Rings 3
Heavy atoms 27
Hydrogen atoms 19
Heteroatoms 6
N/O atoms 5
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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