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P-31179499

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Name File
SDF P-31179499.sdf
SMILES P-31179499.smiles
Standard InChI P-31179499.inchi
InChIKey P-31179499.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-31179499 LaboTest Screening Collection 90 unavailable
Property Value
Components 2
Mass 250.518
logP 3.0928
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 2
PSA 43.09
RO5 violations 0
RO3 violations 1
Refractivity 54.0089
Atoms 21
Rings 1
Heavy atoms 12
Hydrogen atoms 9
Heteroatoms 4
N/O atoms 2
Inorganic atoms 0
Halogen atoms 2
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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