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MCULE-4409407906
Compound
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MCULE-8437050356
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4409407906.sdf |
| SMILES | MCULE-4409407906.smiles |
| Standard InChI | MCULE-4409407906.inchi |
| InChIKey | MCULE-4409407906.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-896306751 | Specs | Screening Compounds | 90 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 418.309 |
| logP | 5.4921 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 61.72 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 112.4945 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
