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P-500403753

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Name File
SDF P-500403753.sdf
SMILES P-500403753.smiles
Standard InChI P-500403753.inchi
InChIKey P-500403753.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-500403753 Pi Chemicals Virtual Compounds 98 by synthesis August 8, 2017
Property Value
Components 2
Mass 309.338
logP 1.9481
H-bond acceptors 8
H-bond donors 6
Rotatable bonds 4
PSA 155.7
RO5 violations 1
RO3 violations 5
Refractivity 72.8671
Atoms 39
Rings 1
Heavy atoms 20
Hydrogen atoms 19
Heteroatoms 9
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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