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UNKNOWN STEREO

P-500377535

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Name File
SDF P-500377535.sdf
SMILES P-500377535.smiles
Standard InChI P-500377535.inchi
InChIKey P-500377535.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500377535 Pi Chemicals Virtual Compounds N/A by synthesis
Property Value
Components 2
Mass 446.369
logP -0.8416
H-bond acceptors 12
H-bond donors 2
Rotatable bonds 9
PSA 201.89
RO5 violations 1
RO3 violations 4
Refractivity 98.4336
Atoms 45
Rings 3
Heavy atoms 30
Hydrogen atoms 15
Heteroatoms 14
N/O atoms 12
Inorganic atoms 1
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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