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  1. InChIKey:
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Name File
SDF P-528212413.sdf
SMILES P-528212413.smiles
Standard InChI P-528212413.inchi
InChIKey P-528212413.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-528212413 Innovapharm Virtual Building Blocks 95 by synthesis
Property Value
Components 2
Mass 211.686
logP 3.8248
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 2
PSA 39.16
RO5 violations 0
RO3 violations 1
Refractivity 60.4664
Atoms 28
Rings 2
Heavy atoms 14
Hydrogen atoms 14
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0