MCULE-6915045152
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- InChI:
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MCULE-3321448550
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6915045152.sdf |
SMILES | MCULE-6915045152.smiles |
Standard InChI | MCULE-6915045152.inchi |
InChIKey | MCULE-6915045152.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580292733 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-855091407 | Toronto Research | In stock | 90 | As is | in stock |
P-854981359 | Toronto Research | In stock | 90 | As is | in stock |
P-855021235 | Toronto Research | In stock | 90 | As is | in stock |
P-580292788 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
P-854980410 | Toronto Research | In stock | 90 | As a main component | in stock |
P-886971597 | eNovation Chemicals LLC | Building Block on demand | 97 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 179.258 |
logP | 2.2365 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 55.1227 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 17 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |