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  1. InChIKey:
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Name File
SDF P-481741900.sdf
SMILES P-481741900.smiles
Standard InChI P-481741900.inchi
InChIKey P-481741900.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-481741900 Scientific Exchange, Inc. Compounds from stock in Eastern Europe N/A in stock June 13, 2016
Property Value
Components 1
Mass 176.128
logP -0.3262
H-bond acceptors 7
H-bond donors 4
Rotatable bonds 5
PSA 129.72
RO5 violations 0
RO3 violations 4
Refractivity 35.7907
Atoms 20
Rings 0
Heavy atoms 12
Hydrogen atoms 8
Heteroatoms 7
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0