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P-22899420

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Name File
SDF P-22899420.sdf
SMILES P-22899420.smiles
Standard InChI P-22899420.inchi
InChIKey P-22899420.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22899420 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 486.556
logP 3.8745
H-bond acceptors 9
H-bond donors 3
Rotatable bonds 16
PSA 123.19
RO5 violations 0
RO3 violations 5
Refractivity 130.2944
Atoms 69
Rings 2
Heavy atoms 35
Hydrogen atoms 34
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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