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P-500410920

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Name File
SDF P-500410920.sdf
SMILES P-500410920.smiles
Standard InChI P-500410920.inchi
InChIKey P-500410920.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500410920 Pi Chemicals Virtual Compounds 97 by synthesis
Property Value
Components 2
Mass 240.666
logP 3.0948
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 0
PSA 135.02
RO5 violations 0
RO3 violations 4
Refractivity 54.4824
Atoms 23
Rings 1
Heavy atoms 14
Hydrogen atoms 9
Heteroatoms 8
N/O atoms 6
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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