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  1. InChIKey:
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Name File
SDF P-505512185.sdf
SMILES P-505512185.smiles
Standard InChI P-505512185.inchi
InChIKey P-505512185.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505512185 Hangzhou Apichem Building Blocks in stock 95 in stock
Property Value
Components 3
Mass 578.363
logP 7.8878
H-bond acceptors 10
H-bond donors 10
Rotatable bonds 17
PSA 167.58
RO5 violations 3
RO3 violations 6
Refractivity 157.357
Atoms 68
Rings 2
Heavy atoms 36
Hydrogen atoms 32
Heteroatoms 14
N/O atoms 10
Inorganic atoms 0
Halogen atoms 4
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 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0