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P-524171687

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Name File
SDF P-524171687.sdf
SMILES P-524171687.smiles
Standard InChI P-524171687.inchi
InChIKey P-524171687.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-524171687 Key Organics Building Blocks 95 unavailable
Property Value
Components 1
Mass 342.296
logP -5.3972
H-bond acceptors 11
H-bond donors 8
Rotatable bonds 4
PSA 189.53
RO5 violations 2
RO3 violations 5
Refractivity 68.1194
Atoms 45
Rings 2
Heavy atoms 23
Hydrogen atoms 22
Heteroatoms 11
N/O atoms 11
Inorganic atoms 0
Halogen atoms 0
Chiral centers 10
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 10
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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