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MCULE-3016905707-0
Structure
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| Name | File |
|---|---|
| SDF | MCULE-3016905707-0.sdf |
| SMILES | MCULE-3016905707-0.smiles |
| Standard InChI | MCULE-3016905707-0.inchi |
| InChIKey | MCULE-3016905707-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580478868 | Manchester Organics | Compounds on demand | 99 | As is | by synthesis |
| P-580481079 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.336 |
| logP | 1.5433 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 84.58 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 73.6129 |
| Atoms | 41 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
