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  1. InChIKey:
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Name File
SDF P-588250331.sdf
SMILES P-588250331.smiles
Standard InChI P-588250331.inchi
InChIKey P-588250331.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-588250331 Manchester Organics Compounds on demand N/A by synthesis June 1, 2019
Property Value
Components 1
Mass 258.229
logP 0.3545
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 1
PSA 83.55
RO5 violations 0
RO3 violations 2
Refractivity 70.9517
Atoms 29
Rings 3
Heavy atoms 19
Hydrogen atoms 10
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
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