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MCULE-8855844149-6
Structure
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- InChIKey:
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MCULE-3872208936-4
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8855844149-6.sdf |
| SMILES | MCULE-8855844149-6.smiles |
| Standard InChI | MCULE-8855844149-6.inchi |
| InChIKey | MCULE-8855844149-6.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-502366219 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 443.556 |
| logP | 4.5041 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 65.44 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 135.3059 |
| Atoms | 64 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 31 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
