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P-580434716

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Name File
SDF P-580434716.sdf
SMILES P-580434716.smiles
Standard InChI P-580434716.inchi
InChIKey P-580434716.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580434716 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 174.156
logP 1.328
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 1
PSA 63.08
RO5 violations 0
RO3 violations 2
Refractivity 46.4973
Atoms 19
Rings 2
Heavy atoms 13
Hydrogen atoms 6
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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