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P-881134747

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Name File
SDF P-881134747.sdf
SMILES P-881134747.smiles
Standard InChI P-881134747.inchi
InChIKey P-881134747.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-881134747 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 397.250
logP 6.18048
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 66.03
RO5 violations 1
RO3 violations 5
Refractivity 107.6107
Atoms 41
Rings 3
Heavy atoms 27
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 2
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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