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P-502404529

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Name File
SDF P-502404529.sdf
SMILES P-502404529.smiles
Standard InChI P-502404529.inchi
InChIKey P-502404529.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502404529 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 233.093
logP 3.5316
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 0
PSA 39.43
RO5 violations 0
RO3 violations 1
Refractivity 41.5604
Atoms 23
Rings 1
Heavy atoms 13
Hydrogen atoms 10
Heteroatoms 9
N/O atoms 2
Inorganic atoms 0
Halogen atoms 6
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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