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P-886934919

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Name File
SDF P-886934919.sdf
SMILES P-886934919.smiles
Standard InChI P-886934919.inchi
InChIKey P-886934919.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-886934919 eNovation Chemicals LLC Building Block on demand 95 by synthesis
Property Value
Components 1
Mass 458.569
logP 5.3622
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 8
PSA 42.32
RO5 violations 1
RO3 violations 4
Refractivity 139.2637
Atoms 65
Rings 5
Heavy atoms 34
Hydrogen atoms 31
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
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
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