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  1. InChIKey:
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Name File
SDF P-500377175.sdf
SMILES P-500377175.smiles
Standard InChI P-500377175.inchi
InChIKey P-500377175.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500377175 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 4
Mass 624.639
logP -2.7743
H-bond acceptors 14
H-bond donors 4
Rotatable bonds 7
PSA 250.99
RO5 violations 2
RO3 violations 5
Refractivity 137.5999
Atoms 67
Rings 5
Heavy atoms 41
Hydrogen atoms 26
Heteroatoms 17
N/O atoms 14
Inorganic atoms 2
Halogen atoms 0
Chiral centers 6
R/S chiral centers 6
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