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MCULE-1774605276-2
Structure
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- InChIKey:
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- InChI:
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MCULE-9071933761-2
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1774605276-2.sdf |
| SMILES | MCULE-1774605276-2.smiles |
| Standard InChI | MCULE-1774605276-2.inchi |
| InChIKey | MCULE-1774605276-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892293940 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 487.528 |
| logP | 4.6097 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 98.41 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 143.9281 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 26 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
