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UNKNOWN STEREO

P-580435022

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Name File
SDF P-580435022.sdf
SMILES P-580435022.smiles
Standard InChI P-580435022.inchi
InChIKey P-580435022.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580435022 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 1
Mass 204.225
logP 1.8226
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 3
PSA 79.11
RO5 violations 0
RO3 violations 2
Refractivity 57.3579
Atoms 27
Rings 2
Heavy atoms 15
Hydrogen atoms 12
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
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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