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MCULE-5050300606
Compound
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| Name | File |
|---|---|
| SDF | MCULE-5050300606.sdf |
| SMILES | MCULE-5050300606.smiles |
| Standard InChI | MCULE-5050300606.inchi |
| InChIKey | MCULE-5050300606.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895332845 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-873217525 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.277 |
| logP | 1.8295 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 48.31 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.6137 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
