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  1. InChIKey:
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Name File
SDF P-503147683.sdf
SMILES P-503147683.smiles
Standard InChI P-503147683.inchi
InChIKey P-503147683.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503147683 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 452.455
logP 1.5044
H-bond acceptors 9
H-bond donors 0
Rotatable bonds 12
PSA 102.45
RO5 violations 0
RO3 violations 4
Refractivity 123.425
Atoms 57
Rings 4
Heavy atoms 33
Hydrogen atoms 24
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
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