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P-854709955

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Name File
SDF P-854709955.sdf
SMILES P-854709955.smiles
Standard InChI P-854709955.inchi
InChIKey P-854709955.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854709955 MedChemExpress Screening compounds on demand 95 by synthesis
Property Value
Components 3
Mass 281.016
logP 2.5064
H-bond acceptors 3
H-bond donors 3
Rotatable bonds 3
PSA 100.7
RO5 violations 0
RO3 violations 1
Refractivity 53.6418
Atoms 20
Rings 0
Heavy atoms 9
Hydrogen atoms 11
Heteroatoms 6
N/O atoms 3
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 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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