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P-502399308

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Name File
SDF P-502399308.sdf
SMILES P-502399308.smiles
Standard InChI P-502399308.inchi
InChIKey P-502399308.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502399308 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 205.177
logP 3.3052
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 3
PSA 35.25
RO5 violations 0
RO3 violations 1
Refractivity 45.6054
Atoms 24
Rings 1
Heavy atoms 14
Hydrogen atoms 10
Heteroatoms 5
N/O atoms 2
Inorganic atoms 0
Halogen atoms 3
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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