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P-678958713

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Name File
SDF P-678958713.sdf
SMILES P-678958713.smiles
Standard InChI P-678958713.inchi
InChIKey P-678958713.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-678958713 Ultimate 3P Express 2 90 unavailable
Property Value
Components 1
Mass 188.225
logP 2.17418
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 52.89
RO5 violations 0
RO3 violations 1
Refractivity 55.0837
Atoms 26
Rings 1
Heavy atoms 14
Hydrogen atoms 12
Heteroatoms 3
N/O atoms 3
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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