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P-256950

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Name File
SDF P-256950.sdf
SMILES P-256950.smiles
Standard InChI P-256950.inchi
InChIKey P-256950.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-256950 Chemical Block Screening Library 90 449 mg
Property Value
Components 1
Mass 476.657
logP 6.44918
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 114.71
RO5 violations 1
RO3 violations 4
Refractivity 138.517
Atoms 61
Rings 5
Heavy atoms 33
Hydrogen atoms 28
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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