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MCULE-6408981105-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-7391942405-2
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6408981105-1.sdf |
| SMILES | MCULE-6408981105-1.smiles |
| Standard InChI | MCULE-6408981105-1.inchi |
| InChIKey | MCULE-6408981105-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860640256 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-489158081 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489121925 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.652 |
| logP | 2.8027 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 73.63 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.5228 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
