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P-502350413

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Name File
SDF P-502350413.sdf
SMILES P-502350413.smiles
Standard InChI P-502350413.inchi
InChIKey P-502350413.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502350413 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 226.226
logP 3.2131
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 2
PSA 50.44
RO5 violations 0
RO3 violations 1
Refractivity 65.2648
Atoms 27
Rings 3
Heavy atoms 17
Hydrogen atoms 10
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
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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