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  1. InChIKey:
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Name File
SDF P-872868296.sdf
SMILES P-872868296.smiles
Standard InChI P-872868296.inchi
InChIKey P-872868296.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-872868296 Axon Medchem Axon predominantly SC catalog 99 in stock
Property Value
Components 1
Mass 440.856
logP 3.2296
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 6
PSA 97.86
RO5 violations 0
RO3 violations 5
Refractivity 115.0045
Atoms 49
Rings 4
Heavy atoms 31
Hydrogen atoms 18
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 1
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