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  1. InChIKey:
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Name File
SDF P-524164144.sdf
SMILES P-524164144.smiles
Standard InChI P-524164144.inchi
InChIKey P-524164144.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-524164144 Key Organics Building Blocks 98 unavailable Monday
Property Value
Components 2
Mass 614.014
logP 2.7523
H-bond acceptors 13
H-bond donors 6
Rotatable bonds 13
PSA 208.95
RO5 violations 3
RO3 violations 5
Refractivity 151.885
Atoms 75
Rings 3
Heavy atoms 42
Hydrogen atoms 33
Heteroatoms 15
N/O atoms 13
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0