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MCULE-5624987267-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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2
MCULE-4366439616-0
- Component type: Main
-
1
MCULE-5889111640-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5624987267-0.sdf |
| SMILES | MCULE-5624987267-0.smiles |
| Standard InChI | MCULE-5624987267-0.inchi |
| InChIKey | MCULE-5624987267-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489149349 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 773.699 |
| logP | 0.5022 |
| H-bond acceptors | 12 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 135.94 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 231.733 |
| Atoms | 96 |
| Rings | 8 |
| Heavy atoms | 54 |
| Hydrogen atoms | 42 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
