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P-22587264

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Name File
SDF P-22587264.sdf
SMILES P-22587264.smiles
Standard InChI P-22587264.inchi
InChIKey P-22587264.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22587264 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 459.289
logP 2.7104
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 4
PSA 106.94
RO5 violations 0
RO3 violations 4
Refractivity 115.5835
Atoms 48
Rings 4
Heavy atoms 29
Hydrogen atoms 19
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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