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MCULE-2538217378
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-5774636296
- Component type: Main
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MCULE-7543878009
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2538217378.sdf |
| SMILES | MCULE-2538217378.smiles |
| Standard InChI | MCULE-2538217378.inchi |
| InChIKey | MCULE-2538217378.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855342830 | Toronto Research | In stock | 90 | As is | in stock |
| P-870650784 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-870650804 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.136 |
| logP | -3.7176 |
| H-bond acceptors | 9 |
| H-bond donors | 7 |
| Rotatable bonds | 2 |
| PSA | 177.72 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 46.7231 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
