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P-588800938

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Name File
SDF P-588800938.sdf
SMILES P-588800938.smiles
Standard InChI P-588800938.inchi
InChIKey P-588800938.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588800938 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis
Property Value
Components 1
Mass 164.200
logP 1.7726
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 3
PSA 21.76
RO5 violations 0
RO3 violations 0
Refractivity 46.485
Atoms 24
Rings 2
Heavy atoms 12
Hydrogen atoms 12
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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