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P-616418104

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Name File
SDF P-616418104.sdf
SMILES P-616418104.smiles
Standard InChI P-616418104.inchi
InChIKey P-616418104.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-616418104 Enamine Functional Collection 90 in stock December 5, 2020
Property Value
Components 1
Mass 280.748
logP 2.1134
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 49.41
RO5 violations 0
RO3 violations 2
Refractivity 79.2897
Atoms 36
Rings 2
Heavy atoms 19
Hydrogen atoms 17
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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