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P-502439566

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Name File
SDF P-502439566.sdf
SMILES P-502439566.smiles
Standard InChI P-502439566.inchi
InChIKey P-502439566.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502439566 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 248.145
logP 3.6016
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 2
PSA 21.26
RO5 violations 0
RO3 violations 1
Refractivity 68.7397
Atoms 30
Rings 2
Heavy atoms 15
Hydrogen atoms 15
Heteroatoms 4
N/O atoms 2
Inorganic atoms 0
Halogen atoms 2
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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