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  1. InChIKey:
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Name File
SDF P-500374524.sdf
SMILES P-500374524.smiles
Standard InChI P-500374524.inchi
InChIKey P-500374524.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500374524 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 505.444
logP 6.2838
H-bond acceptors 10
H-bond donors 10
Rotatable bonds 17
PSA 167.58
RO5 violations 3
RO3 violations 6
Refractivity 143.427
Atoms 64
Rings 2
Heavy atoms 34
Hydrogen atoms 30
Heteroatoms 12
N/O atoms 10
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0