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UNKNOWN STEREO

P-500392411

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Name File
SDF P-500392411.sdf
SMILES P-500392411.smiles
Standard InChI P-500392411.inchi
InChIKey P-500392411.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500392411 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 831.967
logP 1.6284
H-bond acceptors 20
H-bond donors 11
Rotatable bonds 11
PSA 374.49
RO5 violations 3
RO3 violations 5
Refractivity 234.5742
Atoms 106
Rings 4
Heavy atoms 57
Hydrogen atoms 49
Heteroatoms 22
N/O atoms 20
Inorganic atoms 0
Halogen atoms 0
Chiral centers 5
R/S chiral centers 5
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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