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MCULE-8677230473-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-8926826744-1
- Component type: Main
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MCULE-7461567431-0
- Component type: Main
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MCULE-4365741857-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8677230473-1.sdf |
| SMILES | MCULE-8677230473-1.smiles |
| Standard InChI | MCULE-8677230473-1.inchi |
| InChIKey | MCULE-8677230473-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870660715 | N/A | As a main component | in stock |
| P-870661480 | 95 | As a main component | in stock |
| P-890849717 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 505.165 |
| logP | -0.1714 |
| H-bond acceptors | 18 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 314.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 92.3401 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 14 |
| Heteroatoms | 21 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
