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P-22775345

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Name File
SDF P-22775345.sdf
SMILES P-22775345.smiles
Standard InChI P-22775345.inchi
InChIKey P-22775345.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22775345 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 512.234
logP 5.9621
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 9
PSA 59.92
RO5 violations 2
RO3 violations 4
Refractivity 119.9667
Atoms 52
Rings 2
Heavy atoms 28
Hydrogen atoms 24
Heteroatoms 7
N/O atoms 5
Inorganic atoms 0
Halogen atoms 2
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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