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P-616419045

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Name File
SDF P-616419045.sdf
SMILES P-616419045.smiles
Standard InChI P-616419045.inchi
InChIKey P-616419045.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-616419045 Enamine Functional Collection 90 in stock December 5, 2020
Property Value
Components 1
Mass 330.831
logP 2.3317
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 4
PSA 66.07
RO5 violations 0
RO3 violations 4
Refractivity 90.007
Atoms 40
Rings 2
Heavy atoms 21
Hydrogen atoms 19
Heteroatoms 7
N/O atoms 5
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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