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UNKNOWN STEREO

P-611475198

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Name File
SDF P-611475198.sdf
SMILES P-611475198.smiles
Standard InChI P-611475198.inchi
InChIKey P-611475198.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611475198 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 398.481
logP 3.3714
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 5
PSA 127.84
RO5 violations 0
RO3 violations 5
Refractivity 107.9927
Atoms 50
Rings 4
Heavy atoms 28
Hydrogen atoms 22
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
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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