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MCULE-3962778597
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-1292477059
- Component type: Unknown
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MCULE-8360530807
- Component type: Main
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MCULE-9640409693
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3962778597.sdf |
| SMILES | MCULE-3962778597.smiles |
| Standard InChI | MCULE-3962778597.inchi |
| InChIKey | MCULE-3962778597.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33326537 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| P-33325973 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| P-33325932 | TimTec | ActiMol 2 Week | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.403 |
| logP | 3.0676 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 59.49 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.1977 |
| Atoms | 46 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 25 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
