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P-56458

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Name File
SDF P-56458.sdf
SMILES P-56458.smiles
Standard InChI P-56458.inchi
InChIKey P-56458.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-56458 Chemical Block Screening Library 90 unavailable
Property Value
Components 1
Mass 487.343
logP 5.9052
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 8
PSA 67.76
RO5 violations 1
RO3 violations 5
Refractivity 128.8022
Atoms 51
Rings 4
Heavy atoms 32
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 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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