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P-500397444

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Name File
SDF P-500397444.sdf
SMILES P-500397444.smiles
Standard InChI P-500397444.inchi
InChIKey P-500397444.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500397444 Pi Chemicals Virtual Compounds 95 by synthesis
Property Value
Components 1
Mass 247.246
logP 2.1257
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 4
PSA 68.65
RO5 violations 0
RO3 violations 3
Refractivity 66.3445
Atoms 31
Rings 2
Heavy atoms 18
Hydrogen atoms 13
Heteroatoms 5
N/O atoms 5
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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