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MCULE-3681678972
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-5843002618
- Component type: Main
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MCULE-2584573086
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3681678972.sdf |
| SMILES | MCULE-3681678972.smiles |
| Standard InChI | MCULE-3681678972.inchi |
| InChIKey | MCULE-3681678972.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580332801 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-611608765 | Toronto Research | In stock | 90 | As is | in stock |
| P-895343802 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.331 |
| logP | 0.3547 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.58 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 76.1087 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
