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MCULE-8894571431-3
Structure
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MCULE-4835590148-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8894571431-3.sdf |
| SMILES | MCULE-8894571431-3.smiles |
| Standard InChI | MCULE-8894571431-3.inchi |
| InChIKey | MCULE-8894571431-3.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895329013 | 95 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 111.165 |
| logP | 0.6996 |
| H-bond acceptors | 1 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 29.93 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.2214 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
