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MCULE-1735299259
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-6074536649
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1735299259.sdf |
| SMILES | MCULE-1735299259.smiles |
| Standard InChI | MCULE-1735299259.inchi |
| InChIKey | MCULE-1735299259.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-581744686 | Manchester Organics | Stock compounds | N/A | As is | 40 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.401 |
| logP | 3.5173 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 89.0327 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 26 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 1 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
