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  1. InChIKey:
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Name File
SDF P-504021884.sdf
SMILES P-504021884.smiles
Standard InChI P-504021884.inchi
InChIKey P-504021884.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504021884 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 2
Mass 188.155
logP 0.1237
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 3
PSA 49.36
RO5 violations 0
RO3 violations 0
Refractivity 42.5365
Atoms 22
Rings 1
Heavy atoms 13
Hydrogen atoms 9
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
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