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  1. InChIKey:
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Name File
SDF P-502485975.sdf
SMILES P-502485975.smiles
Standard InChI P-502485975.inchi
InChIKey P-502485975.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502485975 Innovapharm Virtual Building Blocks 95 by synthesis
Property Value
Components 1
Mass 299.345
logP 1.6363
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 5
PSA 112.08
RO5 violations 0
RO3 violations 3
Refractivity 73.6965
Atoms 37
Rings 2
Heavy atoms 20
Hydrogen atoms 17
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0