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P-500383570

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Name File
SDF P-500383570.sdf
SMILES P-500383570.smiles
Standard InChI P-500383570.inchi
InChIKey P-500383570.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500383570 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 169.649
logP 2.4631
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 0
PSA 12.03
RO5 violations 0
RO3 violations 0
Refractivity 52.7487
Atoms 23
Rings 2
Heavy atoms 11
Hydrogen atoms 12
Heteroatoms 2
N/O atoms 1
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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