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P-860789594

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Name File
SDF P-860789594.sdf
SMILES P-860789594.smiles
Standard InChI P-860789594.inchi
InChIKey P-860789594.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-860789594 Manchester Organics Compounds on demand N/A by synthesis
Property Value
Components 2
Mass 680.909
logP 7.7603
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 1
PSA 55.38
RO5 violations 2
RO3 violations 3
Refractivity 201.276
Atoms 106
Rings 6
Heavy atoms 50
Hydrogen atoms 56
Heteroatoms 6
N/O atoms 6
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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