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P-500409654

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Name File
SDF P-500409654.sdf
SMILES P-500409654.smiles
Standard InChI P-500409654.inchi
InChIKey P-500409654.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500409654 Pi Chemicals Virtual Compounds 95 by synthesis
Property Value
Components 1
Mass 114.532
logP 1.13
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 0
PSA 25.78
RO5 violations 0
RO3 violations 0
Refractivity 27.042
Atoms 10
Rings 1
Heavy atoms 7
Hydrogen atoms 3
Heteroatoms 3
N/O atoms 2
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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