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MCULE-1530021610
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7856797808
- Component type: Main
-
1
MCULE-5889111640
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1530021610.sdf |
| SMILES | MCULE-1530021610.smiles |
| Standard InChI | MCULE-1530021610.inchi |
| InChIKey | MCULE-1530021610.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500230706 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-500230700 | Diverchim | Diverchim General Catalog | N/A | Main component as a main component | in stock |
| P-500230709 | Diverchim | Diverchim General Catalog | N/A | Main component as a main component | in stock |
| P-500231407 | Diverchim | Diverchim General Catalog | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 469.529 |
| logP | 4.8991 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 136.99 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 135.8147 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
