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P-22655728

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Name File
SDF P-22655728.sdf
SMILES P-22655728.smiles
Standard InChI P-22655728.inchi
InChIKey P-22655728.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22655728 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 450.323
logP 5.6251
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 47.56
RO5 violations 1
RO3 violations 4
Refractivity 121.8017
Atoms 49
Rings 4
Heavy atoms 29
Hydrogen atoms 20
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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