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P-500395666

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Name File
SDF P-500395666.sdf
SMILES P-500395666.smiles
Standard InChI P-500395666.inchi
InChIKey P-500395666.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500395666 Pi Chemicals Virtual Compounds 97 by synthesis
Property Value
Components 1
Mass 220.254
logP 2.3281
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 4
PSA 95.15
RO5 violations 0
RO3 violations 3
Refractivity 58.6304
Atoms 23
Rings 2
Heavy atoms 15
Hydrogen atoms 8
Heteroatoms 6
N/O atoms 5
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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