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  1. InChIKey:
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Name File
SDF P-503881578.sdf
SMILES P-503881578.smiles
Standard InChI P-503881578.inchi
InChIKey P-503881578.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503881578 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 165.189
logP 2.328
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 38.33
RO5 violations 0
RO3 violations 1
Refractivity 47.0357
Atoms 23
Rings 1
Heavy atoms 12
Hydrogen atoms 11
Heteroatoms 3
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