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MCULE-8579973999
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-2783843422
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8579973999.sdf |
| SMILES | MCULE-8579973999.smiles |
| Standard InChI | MCULE-8579973999.inchi |
| InChIKey | MCULE-8579973999.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264389342 | 95 | As is | by synthesis |
| P-895199314 | 95 | As a main component | by synthesis |
| P-869137728 | 95 | As a main component | unavailable |
| P-888645335 | 95 | As a main component | unavailable |
| P-611461898 | 90 | As a main component | in stock |
| P-611490124 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 532.511 |
| logP | 6.6658 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 115.46 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 128.9416 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 20 |
| Heteroatoms | 12 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
