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P-588722892

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Name File
SDF P-588722892.sdf
SMILES P-588722892.smiles
Standard InChI P-588722892.inchi
InChIKey P-588722892.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588722892 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis
Property Value
Components 1
Mass 194.230
logP 2.2801
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 4
PSA 64.35
RO5 violations 0
RO3 violations 3
Refractivity 56.4581
Atoms 28
Rings 1
Heavy atoms 14
Hydrogen atoms 14
Heteroatoms 4
N/O atoms 4
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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