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P-580401981

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Name File
SDF P-580401981.sdf
SMILES P-580401981.smiles
Standard InChI P-580401981.inchi
InChIKey P-580401981.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580401981 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 89.136
logP -0.4597
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 2
PSA 23.47
RO5 violations 0
RO3 violations 0
Refractivity 25.3998
Atoms 17
Rings 0
Heavy atoms 6
Hydrogen atoms 11
Heteroatoms 2
N/O atoms 2
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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