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P-500376424

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Name File
SDF P-500376424.sdf
SMILES P-500376424.smiles
Standard InChI P-500376424.inchi
InChIKey P-500376424.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500376424 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 184.188
logP -1.8298
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 4
PSA 94.5
RO5 violations 0
RO3 violations 3
Refractivity 27.9503
Atoms 16
Rings 0
Heavy atoms 11
Hydrogen atoms 5
Heteroatoms 6
N/O atoms 5
Inorganic atoms 1
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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