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P-500399485

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Name File
SDF P-500399485.sdf
SMILES P-500399485.smiles
Standard InChI P-500399485.inchi
InChIKey P-500399485.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500399485 Pi Chemicals Virtual Compounds 95 by synthesis
Property Value
Components 1
Mass 221.034
logP 2.7002
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 2
PSA 46.53
RO5 violations 0
RO3 violations 0
Refractivity 49.9133
Atoms 19
Rings 1
Heavy atoms 13
Hydrogen atoms 6
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
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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