P-580434926
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Name | File |
---|---|
SDF | P-580434926.sdf |
SMILES | P-580434926.smiles |
Standard InChI | P-580434926.inchi |
InChIKey | P-580434926.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580434926 | Debye Scientific | General Catalog | 95 | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 214.059 |
logP | 2.2908 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 43.09 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.0439 |
Atoms | 19 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 8 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |