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MCULE-8840169234-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | MCULE-8840169234-1.sdf |
| SMILES | MCULE-8840169234-1.smiles |
| Standard InChI | MCULE-8840169234-1.inchi |
| InChIKey | MCULE-8840169234-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-492220173 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-873218402 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.197 |
| logP | -0.0188 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 93.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 37.152 |
| Atoms | 10 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| 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 |
