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P-524193936

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Name File
SDF P-524193936.sdf
SMILES P-524193936.smiles
Standard InChI P-524193936.inchi
InChIKey P-524193936.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-524193936 Key Organics Building Blocks 98 unavailable October 1
Property Value
Components 1
Mass 150.087
logP -2.1226
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 3
PSA 115.06
RO5 violations 0
RO3 violations 3
Refractivity 27.2092
Atoms 16
Rings 0
Heavy atoms 10
Hydrogen atoms 6
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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