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P-580361069

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Name File
SDF P-580361069.sdf
SMILES P-580361069.smiles
Standard InChI P-580361069.inchi
InChIKey P-580361069.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580361069 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 602.613
logP 7.9625
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 7
PSA 92.09
RO5 violations 2
RO3 violations 5
Refractivity 171.8709
Atoms 77
Rings 5
Heavy atoms 40
Hydrogen atoms 37
Heteroatoms 9
N/O atoms 6
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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