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P-500401869

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Name File
SDF P-500401869.sdf
SMILES P-500401869.smiles
Standard InChI P-500401869.inchi
InChIKey P-500401869.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500401869 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 190.151
logP 1.9382
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 60.42
RO5 violations 0
RO3 violations 2
Refractivity 46.077
Atoms 20
Rings 2
Heavy atoms 14
Hydrogen atoms 6
Heteroatoms 4
N/O atoms 4
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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