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MCULE-6711240574
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-6728614304
- Component type: Main
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MCULE-7072372484
- Component type: Main
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MCULE-3697020246
- Component type: Main
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MCULE-5941025499
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6711240574.sdf |
| SMILES | MCULE-6711240574.smiles |
| Standard InChI | MCULE-6711240574.inchi |
| InChIKey | MCULE-6711240574.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33402150 | 90 | As a main component | in stock |
| P-33397614 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.279 |
| logP | 1.3519 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 7.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.759 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
