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MCULE-7061005253
Compound
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MCULE-7325417589
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7061005253.sdf |
| SMILES | MCULE-7061005253.smiles |
| Standard InChI | MCULE-7061005253.inchi |
| InChIKey | MCULE-7061005253.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-503235923 | Innovapharm | Virtual Screening Compounds | 90 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.301 |
| logP | 3.118 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 74.413 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
