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P-588737620

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Name File
SDF P-588737620.sdf
SMILES P-588737620.smiles
Standard InChI P-588737620.inchi
InChIKey P-588737620.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588737620 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis
Property Value
Components 1
Mass 201.648
logP 2.5286
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 44.48
RO5 violations 0
RO3 violations 1
Refractivity 53.0474
Atoms 25
Rings 1
Heavy atoms 13
Hydrogen atoms 12
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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