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  1. InChIKey:
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Name File
SDF P-588252369.sdf
SMILES P-588252369.smiles
Standard InChI P-588252369.inchi
InChIKey P-588252369.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-588252369 Manchester Organics Compounds on demand N/A by synthesis June 1, 2019
Property Value
Components 1
Mass 259.684
logP 1.9627
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 6
PSA 56.79
RO5 violations 0
RO3 violations 2
Refractivity 65.0267
Atoms 31
Rings 1
Heavy atoms 17
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0