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P-867519665

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Name File
SDF P-867519665.sdf
SMILES P-867519665.smiles
Standard InChI P-867519665.inchi
InChIKey P-867519665.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-867519665 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 3
Mass 424.520
logP 4.0518
H-bond acceptors 10
H-bond donors 6
Rotatable bonds 6
PSA 189.2
RO5 violations 1
RO3 violations 6
Refractivity 114.6538
Atoms 57
Rings 2
Heavy atoms 29
Hydrogen atoms 28
Heteroatoms 11
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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