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UNKNOWN STEREO

P-873226929

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Name File
SDF P-873226929.sdf
SMILES P-873226929.smiles
Standard InChI P-873226929.inchi
InChIKey P-873226929.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-873226929 TimTec Building Block Collection 90 in stock
Property Value
Components 3
Mass 471.165
logP -0.2884
H-bond acceptors 15
H-bond donors 4
Rotatable bonds 6
PSA 257.88
RO5 violations 1
RO3 violations 5
Refractivity 81.4298
Atoms 42
Rings 3
Heavy atoms 29
Hydrogen atoms 13
Heteroatoms 19
N/O atoms 15
Inorganic atoms 2
Halogen atoms 0
Chiral centers 4
R/S chiral centers 4
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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