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P-596511582

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Name File
SDF P-596511582.sdf
SMILES P-596511582.smiles
Standard InChI P-596511582.inchi
InChIKey P-596511582.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596511582 Asinex General bb catalog 90 unavailable
Property Value
Components 1
Mass 297.390
logP 4.2619
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 5
PSA 30.49
RO5 violations 0
RO3 violations 2
Refractivity 88.9537
Atoms 45
Rings 3
Heavy atoms 22
Hydrogen atoms 23
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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