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UNKNOWN STEREO
MCULE-6060465176-0
Structure
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MCULE-4015985299-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6060465176-0.sdf |
| SMILES | MCULE-6060465176-0.smiles |
| Standard InChI | MCULE-6060465176-0.inchi |
| InChIKey | MCULE-6060465176-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500372253 | Pi Chemicals | Virtual Compounds | 98 | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 482.547 |
| logP | 2.0297 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 151.07 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 124.6981 |
| Atoms | 62 |
| Rings | 1 |
| Heavy atoms | 33 |
| Hydrogen atoms | 29 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 4 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 4 |
| Undefined stereo double bonds | 0 |
