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P-109146

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Name File
SDF P-109146.sdf
SMILES P-109146.smiles
Standard InChI P-109146.inchi
InChIKey P-109146.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-109146 Chemical Block Screening Library 90 63 mg
Property Value
Components 1
Mass 469.497
logP 2.3867
H-bond acceptors 13
H-bond donors 3
Rotatable bonds 9
PSA 169.81
RO5 violations 1
RO3 violations 4
Refractivity 126.6146
Atoms 61
Rings 4
Heavy atoms 34
Hydrogen atoms 27
Heteroatoms 13
N/O atoms 13
Inorganic atoms 0
Halogen atoms 0
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 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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