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P-896629938

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Name File
SDF P-896629938.sdf
SMILES P-896629938.smiles
Standard InChI P-896629938.inchi
InChIKey P-896629938.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-896629938 MedChemExpress Screening compounds on demand 95 by synthesis
Property Value
Components 1
Mass 416.377
logP 0.3443
H-bond acceptors 9
H-bond donors 5
Rotatable bonds 4
PSA 149.82
RO5 violations 0
RO3 violations 5
Refractivity 104.0882
Atoms 50
Rings 4
Heavy atoms 30
Hydrogen atoms 20
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 5
R/S chiral centers 5
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
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