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MCULE-5782444841-1
Structure
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MCULE-8891279447-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5782444841-1.sdf |
| SMILES | MCULE-5782444841-1.smiles |
| Standard InChI | MCULE-5782444841-1.inchi |
| InChIKey | MCULE-5782444841-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33309980 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 397.393 |
| logP | 3.9632 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 62.77 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 105.8593 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 19 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
