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  1. InChIKey:
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Name File
SDF P-503857999.sdf
SMILES P-503857999.smiles
Standard InChI P-503857999.inchi
InChIKey P-503857999.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503857999 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 206.266
logP 1.95488
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 5
PSA 78.19
RO5 violations 0
RO3 violations 2
Refractivity 57.7087
Atoms 24
Rings 1
Heavy atoms 14
Hydrogen atoms 10
Heteroatoms 4
N/O atoms 3
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