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P-502345843

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Name File
SDF P-502345843.sdf
SMILES P-502345843.smiles
Standard InChI P-502345843.inchi
InChIKey P-502345843.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502345843 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 221.146
logP -0.2995
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 4
PSA 103.77
RO5 violations 0
RO3 violations 3
Refractivity 46.5615
Atoms 23
Rings 1
Heavy atoms 15
Hydrogen atoms 8
Heteroatoms 8
N/O atoms 7
Inorganic atoms 1
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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