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P-137959

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Name File
SDF P-137959.sdf
SMILES P-137959.smiles
Standard InChI P-137959.inchi
InChIKey P-137959.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-137959 Chemical Block Screening Library 90 48 mg
Property Value
Components 1
Mass 299.753
logP 4.36518
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 6
PSA 56.13
RO5 violations 0
RO3 violations 3
Refractivity 84.4377
Atoms 35
Rings 2
Heavy atoms 21
Hydrogen atoms 14
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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