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P-580481103

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Name File
SDF P-580481103.sdf
SMILES P-580481103.smiles
Standard InChI P-580481103.inchi
InChIKey P-580481103.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580481103 Manchester Organics Compounds on demand N/A by synthesis
Property Value
Components 1
Mass 217.054
logP -0.589
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 1
PSA 83.55
RO5 violations 0
RO3 violations 2
Refractivity 41.3585
Atoms 19
Rings 1
Heavy atoms 11
Hydrogen atoms 8
Heteroatoms 5
N/O atoms 4
Inorganic atoms 1
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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