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  1. InChIKey:
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Name File
SDF P-489175053.sdf
SMILES P-489175053.smiles
Standard InChI P-489175053.inchi
InChIKey P-489175053.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-489175053 Amadis Chemical Company Limited Amadis Chemical General Catalog 97 in stock
Property Value
Components 2
Mass 457.475
logP 1.1262
H-bond acceptors 10
H-bond donors 4
Rotatable bonds 7
PSA 152.67
RO5 violations 0
RO3 violations 5
Refractivity 120.2522
Atoms 60
Rings 3
Heavy atoms 33
Hydrogen atoms 27
Heteroatoms 10
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0