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UNKNOWN STEREO

P-580443575

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  1. InChIKey:
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Name File
SDF P-580443575.sdf
SMILES P-580443575.smiles
Standard InChI P-580443575.inchi
InChIKey P-580443575.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580443575 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 183.589
logP 0.7654
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 4
PSA 100.62
RO5 violations 0
RO3 violations 3
Refractivity 39.365
Atoms 21
Rings 0
Heavy atoms 11
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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