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P-893003357

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Name File
SDF P-893003357.sdf
SMILES P-893003357.smiles
Standard InChI P-893003357.inchi
InChIKey P-893003357.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-893003357 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 447.907
logP 6.0202
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 4
PSA 63.66
RO5 violations 1
RO3 violations 5
Refractivity 127.8615
Atoms 54
Rings 5
Heavy atoms 32
Hydrogen atoms 22
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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