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MCULE-4827007158-1
Structure
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- InChIKey:
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- InChI:
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MCULE-3519033445-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4827007158-1.sdf |
| SMILES | MCULE-4827007158-1.smiles |
| Standard InChI | MCULE-4827007158-1.inchi |
| InChIKey | MCULE-4827007158-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675293745 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.198 |
| logP | 0.3957 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 27.64 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.0321 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
