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P-896629546

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Name File
SDF P-896629546.sdf
SMILES P-896629546.smiles
Standard InChI P-896629546.inchi
InChIKey P-896629546.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-896629546 MedChemExpress Screening compounds on demand 95 by synthesis
Property Value
Components 2
Mass 435.311
logP 3.6395
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 7
PSA 90.73
RO5 violations 0
RO3 violations 5
Refractivity 107.9256
Atoms 50
Rings 2
Heavy atoms 27
Hydrogen atoms 23
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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