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  1. InChIKey:
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Name File
SDF P-868078472.sdf
SMILES P-868078472.smiles
Standard InChI P-868078472.inchi
InChIKey P-868078472.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-868078472 Hangzhou Apichem Building Blocks in stock 95 in stock
Property Value
Components 1
Mass 528.665
logP 4.9173
H-bond acceptors 9
H-bond donors 2
Rotatable bonds 9
PSA 121.88
RO5 violations 1
RO3 violations 5
Refractivity 149.8449
Atoms 73
Rings 4
Heavy atoms 37
Hydrogen atoms 36
Heteroatoms 10
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
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