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  1. InChIKey:
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Name File
SDF P-505525673.sdf
SMILES P-505525673.smiles
Standard InChI P-505525673.inchi
InChIKey P-505525673.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505525673 Hangzhou Apichem Building Blocks in stock 95 in stock
Property Value
Components 2
Mass 397.826
logP 2.3489
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 2
PSA 75.01
RO5 violations 0
RO3 violations 3
Refractivity 108.7973
Atoms 48
Rings 4
Heavy atoms 27
Hydrogen atoms 21
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 1
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0