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P-500376040

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Name File
SDF P-500376040.sdf
SMILES P-500376040.smiles
Standard InChI P-500376040.inchi
InChIKey P-500376040.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500376040 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 180.157
logP 1.3914
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 2
PSA 74.6
RO5 violations 0
RO3 violations 2
Refractivity 45.3266
Atoms 21
Rings 1
Heavy atoms 13
Hydrogen atoms 8
Heteroatoms 4
N/O atoms 4
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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