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P-500409854

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Name File
SDF P-500409854.sdf
SMILES P-500409854.smiles
Standard InChI P-500409854.inchi
InChIKey P-500409854.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500409854 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 301.812
logP 3.2613
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 5
PSA 27.63
RO5 violations 0
RO3 violations 3
Refractivity 98.1357
Atoms 41
Rings 3
Heavy atoms 21
Hydrogen atoms 20
Heteroatoms 4
N/O atoms 3
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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