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MCULE-8294158114-3
Structure
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MCULE-9604317244-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8294158114-3.sdf |
| SMILES | MCULE-8294158114-3.smiles |
| Standard InChI | MCULE-8294158114-3.inchi |
| InChIKey | MCULE-8294158114-3.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611412224 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.370 |
| logP | 2.8326 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 115.04 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 80.0248 |
| Atoms | 47 |
| Rings | 0 |
| Heavy atoms | 21 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
