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P-524194423

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Name File
SDF P-524194423.sdf
SMILES P-524194423.smiles
Standard InChI P-524194423.inchi
InChIKey P-524194423.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-524194423 Key Organics Building Blocks 95 unavailable November 5
Property Value
Components 2
Mass 319.257
logP 0.3571
H-bond acceptors 7
H-bond donors 5
Rotatable bonds 4
PSA 141.08
RO5 violations 0
RO3 violations 5
Refractivity 68.7406
Atoms 37
Rings 2
Heavy atoms 22
Hydrogen atoms 15
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 2
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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