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UNKNOWN STEREO

P-855094679

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Name File
SDF P-855094679.sdf
SMILES P-855094679.smiles
Standard InChI P-855094679.inchi
InChIKey P-855094679.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-855094679 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 483.517
logP -0.8632
H-bond acceptors 12
H-bond donors 3
Rotatable bonds 4
PSA 195.75
RO5 violations 1
RO3 violations 4
Refractivity 68.1381
Atoms 35
Rings 3
Heavy atoms 24
Hydrogen atoms 11
Heteroatoms 14
N/O atoms 12
Inorganic atoms 1
Halogen atoms 0
Chiral centers 4
R/S chiral centers 4
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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