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UNKNOWN STEREO
MCULE-7205983479
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-2682427207
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7205983479.sdf |
| SMILES | MCULE-7205983479.smiles |
| Standard InChI | MCULE-7205983479.inchi |
| InChIKey | MCULE-7205983479.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-611452122 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 487.189 |
| logP | 0.4772 |
| H-bond acceptors | 15 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 284.69 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 88.9971 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 13 |
| Heteroatoms | 20 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
