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MCULE-8853631869
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1806492634
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8853631869.sdf |
| SMILES | MCULE-8853631869.smiles |
| Standard InChI | MCULE-8853631869.inchi |
| InChIKey | MCULE-8853631869.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33400454 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-33400641 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 372.886 |
| logP | 4.5823 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 42.43 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.0395 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 25 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
