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MCULE-6774310674
Compound
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MCULE-7022304092
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6774310674.sdf |
| SMILES | MCULE-6774310674.smiles |
| Standard InChI | MCULE-6774310674.inchi |
| InChIKey | MCULE-6774310674.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893054001 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-675371980 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-675523519 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 257.754 |
| logP | 2.8587 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 41.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 70.7875 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
