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MCULE-7085698770-1
Structure
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- InChIKey:
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- InChI:
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MCULE-7834041957-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7085698770-1.sdf |
| SMILES | MCULE-7085698770-1.smiles |
| Standard InChI | MCULE-7085698770-1.inchi |
| InChIKey | MCULE-7085698770-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856040666 | LaboTest | Building Blocks | 90 | As a main component | unavailable |
| P-31138815 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.202 |
| logP | 0.5734 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 30.74 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.0407 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
