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MCULE-6381579051
Compound
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MCULE-9741591698
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6381579051.sdf |
| SMILES | MCULE-6381579051.smiles |
| Standard InChI | MCULE-6381579051.inchi |
| InChIKey | MCULE-6381579051.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906782393 | 98 | As is | by synthesis |
| P-906775523 | 98 | As a main component | by synthesis |
| P-906760497 | 99 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 477.471 |
| logP | -0.0427 |
| H-bond acceptors | 14 |
| H-bond donors | 8 |
| Rotatable bonds | 11 |
| PSA | 215.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 131.394 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 27 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| 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 |
