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P-500399952

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Name File
SDF P-500399952.sdf
SMILES P-500399952.smiles
Standard InChI P-500399952.inchi
InChIKey P-500399952.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-500399952 Pi Chemicals Virtual Compounds 99 by synthesis August 8, 2017
Property Value
Components 1
Mass 148.205
logP 1.8349
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 1
PSA 24.92
RO5 violations 0
RO3 violations 0
Refractivity 48.2267
Atoms 23
Rings 2
Heavy atoms 11
Hydrogen atoms 12
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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