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MCULE-3559500320
Compound
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| Name | File |
|---|---|
| SDF | MCULE-3559500320.sdf |
| SMILES | MCULE-3559500320.smiles |
| Standard InChI | MCULE-3559500320.inchi |
| InChIKey | MCULE-3559500320.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-25951940 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 477.594 |
| logP | 3.3753 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 78.95 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 143.1292 |
| Atoms | 70 |
| Rings | 7 |
| Heavy atoms | 35 |
| Hydrogen atoms | 35 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
