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P-616417197

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Name File
SDF P-616417197.sdf
SMILES P-616417197.smiles
Standard InChI P-616417197.inchi
InChIKey P-616417197.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-616417197 Enamine Functional Collection 90 in stock December 5, 2020
Property Value
Components 1
Mass 308.808
logP 1.7764
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 4
PSA 94.31
RO5 violations 0
RO3 violations 4
Refractivity 77.952
Atoms 31
Rings 2
Heavy atoms 18
Hydrogen atoms 13
Heteroatoms 8
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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