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P-22889928

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Name File
SDF P-22889928.sdf
SMILES P-22889928.smiles
Standard InChI P-22889928.inchi
InChIKey P-22889928.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22889928 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 442.599
logP 5.6536
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 5
PSA 80.94
RO5 violations 1
RO3 violations 4
Refractivity 140.201
Atoms 53
Rings 5
Heavy atoms 31
Hydrogen atoms 22
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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