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P-867409071

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Name File
SDF P-867409071.sdf
SMILES P-867409071.smiles
Standard InChI P-867409071.inchi
InChIKey P-867409071.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-867409071 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 2
Mass 325.828
logP -0.913
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 5
PSA 50.97
RO5 violations 0
RO3 violations 3
Refractivity 91.3235
Atoms 46
Rings 3
Heavy atoms 22
Hydrogen atoms 24
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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