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MCULE-4790543835
Compound
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MCULE-6740127362
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4790543835.sdf |
| SMILES | MCULE-4790543835.smiles |
| Standard InChI | MCULE-4790543835.inchi |
| InChIKey | MCULE-4790543835.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-608118605 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 684.695 |
| logP | 0.2868 |
| H-bond acceptors | 15 |
| H-bond donors | 4 |
| Rotatable bonds | 12 |
| PSA | 340.13 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 161.873 |
| Atoms | 64 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 21 |
| Heteroatoms | 21 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
