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P-22654762

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Name File
SDF P-22654762.sdf
SMILES P-22654762.smiles
Standard InChI P-22654762.inchi
InChIKey P-22654762.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22654762 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 493.761
logP 6.1544
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 10
PSA 69.15
RO5 violations 1
RO3 violations 5
Refractivity 126.2227
Atoms 51
Rings 3
Heavy atoms 32
Hydrogen atoms 19
Heteroatoms 9
N/O atoms 6
Inorganic atoms 0
Halogen atoms 3
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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