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MCULE-5754492296-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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MCULE-6482472818-0
- Component type: Main
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MCULE-5253190084-0
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MCULE-6262675897-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5754492296-0.sdf |
| SMILES | MCULE-5754492296-0.smiles |
| Standard InChI | MCULE-5754492296-0.inchi |
| InChIKey | MCULE-5754492296-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502590796 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-502952087 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.665 |
| logP | 2.9601 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 62.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 96.2437 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
