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P-874577789

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Name File
SDF P-874577789.sdf
SMILES P-874577789.smiles
Standard InChI P-874577789.inchi
InChIKey P-874577789.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-874577789 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 458.504
logP 4.3571
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 7
PSA 88.96
RO5 violations 0
RO3 violations 5
Refractivity 131.9558
Atoms 60
Rings 4
Heavy atoms 34
Hydrogen atoms 26
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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