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P-580303603

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Name File
SDF P-580303603.sdf
SMILES P-580303603.smiles
Standard InChI P-580303603.inchi
InChIKey P-580303603.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-580303603 Debye Scientific General Catalog 95 by resynthesis (? - ? days) May 31, 2018
Property Value
Components 1
Mass 404.630
logP 9.0652
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 7
PSA 24.72
RO5 violations 1
RO3 violations 3
Refractivity 137.122
Atoms 70
Rings 2
Heavy atoms 30
Hydrogen atoms 40
Heteroatoms 2
N/O atoms 2
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 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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