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P-596320467

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Name File
SDF P-596320467.sdf
SMILES P-596320467.smiles
Standard InChI P-596320467.inchi
InChIKey P-596320467.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596320467 Asinex General screening catalog 90 unavailable
Property Value
Components 1
Mass 298.422
logP 4.5256
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 45.15
RO5 violations 0
RO3 violations 2
Refractivity 93.4175
Atoms 48
Rings 3
Heavy atoms 22
Hydrogen atoms 26
Heteroatoms 3
N/O atoms 3
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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