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P-596221601

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Name File
SDF P-596221601.sdf
SMILES P-596221601.smiles
Standard InChI P-596221601.inchi
InChIKey P-596221601.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596221601 Asinex General screening catalog 90 unavailable
Property Value
Components 1
Mass 323.388
logP 3.7139
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 6
PSA 61.44
RO5 violations 0
RO3 violations 5
Refractivity 99.0614
Atoms 45
Rings 3
Heavy atoms 24
Hydrogen atoms 21
Heteroatoms 5
N/O atoms 5
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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