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P-580500031

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Name File
SDF P-580500031.sdf
SMILES P-580500031.smiles
Standard InChI P-580500031.inchi
InChIKey P-580500031.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580500031 Manchester Organics Compounds on demand 95 by synthesis
Property Value
Components 1
Mass 228.331
logP 2.6205
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 6
PSA 50.36
RO5 violations 0
RO3 violations 2
Refractivity 68.9144
Atoms 40
Rings 1
Heavy atoms 16
Hydrogen atoms 24
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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