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UNKNOWN STEREO

P-580426769

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  1. InChIKey:
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Name File
SDF P-580426769.sdf
SMILES P-580426769.smiles
Standard InChI P-580426769.inchi
InChIKey P-580426769.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580426769 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 191.614
logP 0.8664
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 3
PSA 92.0
RO5 violations 0
RO3 violations 2
Refractivity 44.6119
Atoms 22
Rings 1
Heavy atoms 12
Hydrogen atoms 10
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 1
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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