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P-500410719

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Name File
SDF P-500410719.sdf
SMILES P-500410719.smiles
Standard InChI P-500410719.inchi
InChIKey P-500410719.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500410719 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 243.300
logP 2.9179
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 5
PSA 38.33
RO5 violations 0
RO3 violations 1
Refractivity 72.8287
Atoms 35
Rings 2
Heavy atoms 18
Hydrogen atoms 17
Heteroatoms 3
N/O atoms 3
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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