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  1. InChIKey:
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Name File
SDF P-489161241.sdf
SMILES P-489161241.smiles
Standard InChI P-489161241.inchi
InChIKey P-489161241.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-489161241 Amadis Chemical Company Limited Amadis Chemical General Catalog 97 in stock
Property Value
Components 2
Mass 565.496
logP 6.3747
H-bond acceptors 12
H-bond donors 7
Rotatable bonds 13
PSA 214.88
RO5 violations 4
RO3 violations 6
Refractivity 156.9268
Atoms 72
Rings 2
Heavy atoms 38
Hydrogen atoms 34
Heteroatoms 14
N/O atoms 12
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 4
Unknown stereo double bonds 0
Undefined stereo double bonds 0