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P-502393173

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Name File
SDF P-502393173.sdf
SMILES P-502393173.smiles
Standard InChI P-502393173.inchi
InChIKey P-502393173.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502393173 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 165.189
logP 1.7797
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 2
PSA 63.32
RO5 violations 0
RO3 violations 1
Refractivity 45.6602
Atoms 23
Rings 1
Heavy atoms 12
Hydrogen atoms 11
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
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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