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MCULE-6483554534
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6483554534.sdf |
| SMILES | MCULE-6483554534.smiles |
| Standard InChI | MCULE-6483554534.inchi |
| InChIKey | MCULE-6483554534.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895331594 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.279 |
| logP | 3.00598 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 52.89 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.6977 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
