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  1. InChIKey:
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Name File
SDF P-482483659.sdf
SMILES P-482483659.smiles
Standard InChI P-482483659.inchi
InChIKey P-482483659.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-482483659 Scientific Exchange, Inc. Virtual Screening Compounds N/A by synthesis February 5, 2016
Property Value
Components 1
Mass 483.624
logP 5.6454
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 12
PSA 105.53
RO5 violations 1
RO3 violations 5
Refractivity 143.027
Atoms 67
Rings 3
Heavy atoms 34
Hydrogen atoms 33
Heteroatoms 8
N/O atoms 7
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0