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P-500371884

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Name File
SDF P-500371884.sdf
SMILES P-500371884.smiles
Standard InChI P-500371884.inchi
InChIKey P-500371884.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500371884 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 524.945
logP 3.0072
H-bond acceptors 11
H-bond donors 4
Rotatable bonds 12
PSA 174.48
RO5 violations 2
RO3 violations 6
Refractivity 133.3377
Atoms 65
Rings 2
Heavy atoms 36
Hydrogen atoms 29
Heteroatoms 12
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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