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MCULE-5201541299-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-7285635343-0
- Component type: Unknown
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MCULE-8073571856-0
- Component type: Main
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MCULE-4015883093-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5201541299-0.sdf |
| SMILES | MCULE-5201541299-0.smiles |
| Standard InChI | MCULE-5201541299-0.inchi |
| InChIKey | MCULE-5201541299-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-862531735 | N/A | As a main component | by synthesis |
| P-862531741 | N/A | As a main component | by synthesis |
| P-500390639 | 97 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 144.238 |
| logP | -0.2623 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 9.49 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.1294 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 18 |
| 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 |
