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MCULE-8429170945-0
Structure
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MCULE-2334671699-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8429170945-0.sdf |
| SMILES | MCULE-8429170945-0.smiles |
| Standard InChI | MCULE-8429170945-0.inchi |
| InChIKey | MCULE-8429170945-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33215203 | TimTec | ActiMol 2 Week | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.190 |
| logP | 1.8394 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.0868 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
