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MCULE-5549324372
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2466072064
- Component type: Main
-
1
MCULE-2119184702
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5549324372.sdf |
| SMILES | MCULE-5549324372.smiles |
| Standard InChI | MCULE-5549324372.inchi |
| InChIKey | MCULE-5549324372.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580484813 | 97 | As is | by synthesis |
| P-867448949 | N/A | Main component | by synthesis |
| P-580480486 | 97 | Main component | by synthesis |
| P-867449266 | N/A | Main component as a main component | by synthesis |
| P-580467378 | 97 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 399.762 |
| logP | 3.5051 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 102.45 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 75.7965 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 12 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
