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P-524444389

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Name File
SDF P-524444389.sdf
SMILES P-524444389.smiles
Standard InChI P-524444389.inchi
InChIKey P-524444389.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-524444389 Key Organics Biochemicals 97 unavailable May 29
Property Value
Components 2
Mass 433.951
logP 4.284
H-bond acceptors 8
H-bond donors 4
Rotatable bonds 9
PSA 131.37
RO5 violations 0
RO3 violations 6
Refractivity 112.794
Atoms 56
Rings 2
Heavy atoms 28
Hydrogen atoms 28
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 1
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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