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P-580500414

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Name File
SDF P-580500414.sdf
SMILES P-580500414.smiles
Standard InChI P-580500414.inchi
InChIKey P-580500414.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580500414 Manchester Organics Compounds on demand N/A by synthesis
Property Value
Components 3
Mass 336.206
logP -4.7406
H-bond acceptors 10
H-bond donors 2
Rotatable bonds 11
PSA 161.34
RO5 violations 0
RO3 violations 4
Refractivity 59.1786
Atoms 36
Rings 0
Heavy atoms 22
Hydrogen atoms 14
Heteroatoms 12
N/O atoms 10
Inorganic atoms 2
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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