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P-98251

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Name File
SDF P-98251.sdf
SMILES P-98251.smiles
Standard InChI P-98251.inchi
InChIKey P-98251.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-98251 Chemical Block Screening Library 90 46 mg
Property Value
Components 1
Mass 405.518
logP 3.39
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 6
PSA 81.37
RO5 violations 0
RO3 violations 5
Refractivity 120.116
Atoms 52
Rings 5
Heavy atoms 29
Hydrogen atoms 23
Heteroatoms 7
N/O atoms 6
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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