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P-854699946

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Name File
SDF P-854699946.sdf
SMILES P-854699946.smiles
Standard InChI P-854699946.inchi
InChIKey P-854699946.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854699946 MedChemExpress Screening compounds on demand 95 by synthesis
Property Value
Components 2
Mass 442.416
logP 7.3646
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 9
PSA 12.47
RO5 violations 1
RO3 violations 3
Refractivity 131.483
Atoms 59
Rings 3
Heavy atoms 30
Hydrogen atoms 29
Heteroatoms 4
N/O atoms 2
Inorganic atoms 0
Halogen atoms 2
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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