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P-502365628

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Name File
SDF P-502365628.sdf
SMILES P-502365628.smiles
Standard InChI P-502365628.inchi
InChIKey P-502365628.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502365628 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 409.884
logP 5.081
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 4
PSA 94.1
RO5 violations 1
RO3 violations 5
Refractivity 106.6468
Atoms 47
Rings 3
Heavy atoms 27
Hydrogen atoms 20
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
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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